{"id":"https://openalex.org/W7225642840","doi":"https://doi.org/10.1021/acs.orglett.6c04486","title":"Nitrogen-Rich Substituent Engineering of [1,2,4]Triazolo[1,5- a ]pyrimidines for Balancing Energetic Performance and Stability","display_name":"Nitrogen-Rich Substituent Engineering of [1,2,4]Triazolo[1,5- a ]pyrimidines for Balancing Energetic Performance and Stability","publication_year":2026,"publication_date":"2026-11-09","ids":{"openalex":"https://openalex.org/W7225642840","doi":"https://doi.org/10.1021/acs.orglett.6c04486"},"language":"en","primary_location":{"id":"doi:10.1021/acs.orglett.6c04486","doi":"https://doi.org/10.1021/acs.orglett.6c04486","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.orglett.6c04486","pdf_url":null,"source":{"id":"https://openalex.org/S201989124","display_name":"Organic Letters","issn_l":"1523-7052","issn":["1523-7052","1523-7060"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Organic Letters","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5066711731","display_name":"Yu Sha","orcid":"https://orcid.org/0000-0003-2642-8585","observed_orcids":["https://orcid.org/0000-0003-2642-8585"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Sha","raw_affiliation_strings":["Nanjing University of Science and Technology , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nanjing University of Science and Technology , , ,","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101805419","display_name":"Zhiwei Zeng","orcid":"https://orcid.org/0000-0002-2285-896X","observed_orcids":["https://orcid.org/0000-0002-2285-896X"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Zhiwei Zeng","raw_affiliation_strings":["Nanjing University of Science and Technology , , ,"],"raw_orcid":"https://orcid.org/0000-0002-2285-896X","affiliations":[{"raw_affiliation_string":"Nanjing University of Science and Technology , , ,","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028886752","display_name":"Yuji Liu","orcid":"https://orcid.org/0000-0003-2558-5896","observed_orcids":["https://orcid.org/0000-0003-2558-5896"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuji Liu","raw_affiliation_strings":["Nanjing University of Science and Technology , , ,"],"raw_orcid":"https://orcid.org/0000-0003-2558-5896","affiliations":[{"raw_affiliation_string":"Nanjing University of Science and Technology , , ,","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038475742","display_name":"Wei Huang","orcid":"https://orcid.org/0000-0002-4376-4639","observed_orcids":["https://orcid.org/0000-0002-4376-4639"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Huang","raw_affiliation_strings":["Nanjing University of Science and Technology , , ,"],"raw_orcid":"https://orcid.org/0000-0002-4376-4639","affiliations":[{"raw_affiliation_string":"Nanjing University of Science and Technology , , ,","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024196673","display_name":"Guangbin Cheng","orcid":"https://orcid.org/0000-0003-0501-6469","observed_orcids":["https://orcid.org/0000-0003-0501-6469","https://orcid.org/0000-0002-1207-3552","https://orcid.org/0000-0003-0115-2965"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guangbin Cheng","raw_affiliation_strings":["Nanjing University of Science and Technology , , ,"],"raw_orcid":"https://orcid.org/0000-0003-0501-6469","affiliations":[{"raw_affiliation_string":"Nanjing University of Science and Technology , , ,","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5054053081","display_name":"Yongxing Tang","orcid":"https://orcid.org/0000-0002-9549-9195","observed_orcids":["https://orcid.org/0000-0002-9549-9195"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yongxing Tang","raw_affiliation_strings":["Nanjing University of Science and Technology , , ,"],"raw_orcid":"https://orcid.org/0000-0002-9549-9195","affiliations":[{"raw_affiliation_string":"Nanjing University of Science and Technology , , ,","institution_ids":["https://openalex.org/I36399199"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5054053081","https://openalex.org/A5101805419"],"corresponding_institution_ids":["https://openalex.org/I36399199"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10806","display_name":"Energetic Materials and Combustion","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10806","display_name":"Energetic Materials and Combustion","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11240","display_name":"Luminescence and Fluorescent Materials","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/1-2-4-triazolo-1-5-a-pyrimidines","display_name":"1,2,4-triazolo[1,5-a]pyrimidines","score":0.9580000042915344},{"id":"https://openalex.org/keywords/energetic-materials","display_name":"energetic materials","score":0.8880000114440918},{"id":"https://openalex.org/keywords/substituent-engineering","display_name":"substituent engineering","score":0.968999981880188},{"id":"https://openalex.org/keywords/detonation-velocity","display_name":"detonation velocity","score":0.8930000066757202},{"id":"https://openalex.org/keywords/thermal-stability","display_name":"thermal stability","score":0.8759999871253967},{"id":"https://openalex.org/keywords/mechanical-stability","display_name":"mechanical stability","score":0.7139999866485596},{"id":"https://openalex.org/keywords/intermolecular-interactions","display_name":"intermolecular interactions","score":0.7400000095367432},{"id":"https://openalex.org/keywords/electrostatic-potential-analysis","display_name":"electrostatic potential analysis","score":0.675000011920929},{"id":"https://openalex.org/keywords/interaction-region-indicator","display_name":"interaction region indicator","score":0.5989999771118164},{"id":"https://openalex.org/keywords/c-n-bond-formation","display_name":"C\u2013N bond formation","score":0.8009999990463257}],"concepts":[{"id":"https://openalex.org/C2778689049","wikidata":"https://www.wikidata.org/wiki/Q898422","display_name":"Substituent","level":2,"score":0.8269000053405762},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7311999797821045},{"id":"https://openalex.org/C154238967","wikidata":"https://www.wikidata.org/wiki/Q12870","display_name":"Explosive material","level":2,"score":0.715399980545044},{"id":"https://openalex.org/C203397868","wikidata":"https://www.wikidata.org/wiki/Q786054","display_name":"Detonation","level":3,"score":0.7139000296592712},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.7034000158309937},{"id":"https://openalex.org/C59061564","wikidata":"https://www.wikidata.org/wiki/Q7783071","display_name":"Thermal stability","level":2,"score":0.6255000233650208},{"id":"https://openalex.org/C124681953","wikidata":"https://www.wikidata.org/wiki/Q339062","display_name":"Decomposition","level":2,"score":0.5753999948501587},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.5358999967575073},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4765999913215637},{"id":"https://openalex.org/C160434732","wikidata":"https://www.wikidata.org/wiki/Q2611095","display_name":"Thermal decomposition","level":2,"score":0.4523000121116638},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4408000111579895},{"id":"https://openalex.org/C2779171751","wikidata":"https://www.wikidata.org/wiki/Q908624","display_name":"Detonation velocity","level":4,"score":0.4154999852180481},{"id":"https://openalex.org/C2778026756","wikidata":"https://www.wikidata.org/wiki/Q5376832","display_name":"Energetic material","level":3,"score":0.4072999954223633},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.4018999934196472},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.3702999949455261},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.36480000615119934},{"id":"https://openalex.org/C199978012","wikidata":"https://www.wikidata.org/wiki/Q1273815","display_name":"Bearing (navigation)","level":2,"score":0.3531999886035919},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.34529998898506165},{"id":"https://openalex.org/C186399102","wikidata":"https://www.wikidata.org/wiki/Q903517","display_name":"Chemical stability","level":2,"score":0.3398999869823456},{"id":"https://openalex.org/C2985973956","wikidata":"https://www.wikidata.org/wiki/Q1617745","display_name":"High energy","level":2,"score":0.3368000090122223},{"id":"https://openalex.org/C84551667","wikidata":"https://www.wikidata.org/wiki/Q155640","display_name":"Potential energy","level":2,"score":0.32440000772476196},{"id":"https://openalex.org/C160343418","wikidata":"https://www.wikidata.org/wiki/Q185256","display_name":"Rigidity (electromagnetism)","level":2,"score":0.319599986076355},{"id":"https://openalex.org/C143724316","wikidata":"https://www.wikidata.org/wiki/Q312468","display_name":"Series (stratigraphy)","level":2,"score":0.31929999589920044},{"id":"https://openalex.org/C62396407","wikidata":"https://www.wikidata.org/wiki/Q863696","display_name":"Bond-dissociation energy","level":3,"score":0.31690001487731934},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.3118000030517578},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.3091999888420105},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.30329999327659607},{"id":"https://openalex.org/C99844830","wikidata":"https://www.wikidata.org/wiki/Q102441924","display_name":"Scaling","level":2,"score":0.30320000648498535},{"id":"https://openalex.org/C107861326","wikidata":"https://www.wikidata.org/wiki/Q209233","display_name":"Thermal energy","level":2,"score":0.2703999876976013},{"id":"https://openalex.org/C3020346381","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular interaction","level":4,"score":0.26600000262260437},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.2619999945163727},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2599000036716461},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.2554999887943268},{"id":"https://openalex.org/C2991874392","wikidata":"https://www.wikidata.org/wiki/Q1124842","display_name":"Metabolic stability","level":3,"score":0.2529999911785126},{"id":"https://openalex.org/C22499117","wikidata":"https://www.wikidata.org/wiki/Q2253702","display_name":"Interaction energy","level":3,"score":0.25040000677108765}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/acs.orglett.6c04486","doi":"https://doi.org/10.1021/acs.orglett.6c04486","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.orglett.6c04486","pdf_url":null,"source":{"id":"https://openalex.org/S201989124","display_name":"Organic Letters","issn_l":"1523-7052","issn":["1523-7052","1523-7060"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Organic Letters","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322769","display_name":"Natural Science Foundation of Jiangsu Province","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320323191","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W1968825704","https://openalex.org/W2022130599","https://openalex.org/W2029667189","https://openalex.org/W2091439890","https://openalex.org/W2108528027","https://openalex.org/W2132525235","https://openalex.org/W2410506454","https://openalex.org/W2608415062","https://openalex.org/W2742122292","https://openalex.org/W2897225941","https://openalex.org/W2897720217","https://openalex.org/W2899215064","https://openalex.org/W3033441518","https://openalex.org/W3034804027","https://openalex.org/W3043707912","https://openalex.org/W3158379422","https://openalex.org/W3193638670","https://openalex.org/W4224211663","https://openalex.org/W4317485895","https://openalex.org/W4392103356","https://openalex.org/W4399143456","https://openalex.org/W4403214863","https://openalex.org/W4404257417","https://openalex.org/W4406885103","https://openalex.org/W4407570170","https://openalex.org/W4411160515","https://openalex.org/W4411632096","https://openalex.org/W4416684095","https://openalex.org/W7117272504","https://openalex.org/W7125918122","https://openalex.org/W7134193131","https://openalex.org/W7135079577","https://openalex.org/W7140147323","https://openalex.org/W7154747011"],"related_works":["https://openalex.org/W4408287114","https://openalex.org/W3211130214","https://openalex.org/W4387968541","https://openalex.org/W4402742211","https://openalex.org/W3023515046","https://openalex.org/W7223088144","https://openalex.org/W3137301129","https://openalex.org/W2966623268","https://openalex.org/W7139913428","https://openalex.org/W2966774386"],"abstract_inverted_index":{"Abstract":[0],"The":[1],"development":[2],"of":[3,23,42,51,65],"energetic":[4,25,115,127],"materials":[5],"combining":[6],"high":[7,11,62],"energy":[8],"output":[9],"with":[10],"thermal":[12],"and":[13,68,76,83,92,117],"mechanical":[14,70],"stability":[15],"remains":[16],"challenging.":[17],"Here,":[18],"we":[19],"construct":[20],"a":[21,39,120],"series":[22],"[1,2,4]triazolo[1,5-a]pyrimidine-based":[24],"compounds":[26],"(4\u20139)":[27],"bearing":[28],"diverse":[29],"nitrogen-rich":[30,90,106],"substituents":[31,91],"through":[32],"C\u2013N":[33],"bond":[34],"formation.":[35],"Compound":[36],"6":[37],"exhibits":[38],"detonation":[40],"velocity":[41],"8869":[43],"m":[44,57],"s\u20131,":[45],"which":[46],"is":[47],"comparable":[48],"to":[49,98,113],"that":[50,89,105],"the":[52,93,99],"benchmark":[53],"explosive":[54],"RDX":[55],"(8836":[56],"s\u20131),":[58],"while":[59],"4\u20139":[60],"show":[61],"decomposition":[63],"temperatures":[64],"270\u2013330":[66],"\u00b0C":[67],"excellent":[69],"insensitivity":[71],"(IS":[72],">":[73,78],"40":[74],"J":[75],"FS":[77],"360":[79],"N).":[80],"Electrostatic":[81],"potential":[82],"interaction":[84],"region":[85],"indicator":[86],"analyses":[87],"reveal":[88],"resulting":[94],"intermolecular":[95],"interactions":[96],"contribute":[97],"enhanced":[100],"stability.":[101],"These":[102],"results":[103],"demonstrate":[104],"substituent":[107],"engineering":[108],"provides":[109],"an":[110],"effective":[111],"approach":[112],"balancing":[114],"performance":[116],"stability,":[118],"offering":[119],"molecular":[121],"design":[122],"strategy":[123],"for":[124],"insensitive,":[125],"high-energy-density":[126],"materials.":[128]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-10T00:00:00"}