286047 <common-name>Pentyl 5-amino-1-[bis(dimethylamino)phosphoryl]-1,2,4-triazole-3-carboxylate</common-name> <description>Pentyl 5-amino-1-[bis(dimethylamino)phosphoryl]-1,2,4-triazole-3-carboxylate belongs to the triazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C12H25N6O3P. The compound has an average molecular weight of 332.34 g/mol.</description> <cas>78371-73-0</cas> <pubchem-id>3060873</pubchem-id> <chemical-formula>C12H25N6O3P</chemical-formula> <weight>332.34</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-27T21:55:16Z</created-at> <updated-at type="dateTime">2026-08-27T21:55:16Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCCOC(=O)C1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C</moldb-smiles> <moldb-formula>C12H25N6O3P</moldb-formula> <moldb-inchi>InChI=1S/C12H25N6O3P/c1-6-7-8-9-21-11(19)10-14-12(13)18(15-10)22(20,16(2)3)17(4)5/h6-9H2,1-5H3,(H2,13,14,15)</moldb-inchi> <moldb-inchikey>PYMRHBABEHQYTP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">332.1725757</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM281940</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Pentyl 5-amino-1-[bis(dimethylamino)phosphoryl]-1,2,4-triazole-3-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0237865</sync-id> <structure-inchikey>PYMRHBABEHQYTP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000050000000000080000000000000000000000002000020000000000000002000000000000000000000000002000000000000000000000000010000000000000020000000000100000000000000000000000020010000000800000000004000000000000100000008000000000000200000400040000000000000000000000000101000000000000000000040000000000000080000000000000000080000000000000008004000000000000000800004000000000000800000000000000000000000000000100002000000000000000000000000030081000000000000010400000002080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAggAKAAAAAMCBgAoAAAAAwQIACgA AAADAgZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwZAKAAAAAMEB0AoAAAAAwMH AGgAAAADAQIPACAAAAAFCAAoAAAAAwIHACAAAAADBgBgAAAAAQMGAGAAAAAB AwcAIAAAAAMGAGAAAAABAwYAYAAAAAEDCwABAAECAAIDAAMEAAQFAAUGIAYH KAIGCCAICWgMCQpoDAoLaAwLDGgMCw0gCg4ADg8IAg4QABARABASAA4TABMU ABMVAAwIaAxCAQAAAAUICQoLDBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:59:49Z</structure-indexed-at> </compound>