289452 <common-name>5-benzyl-2-[bis(dimethylamino)phosphoryl]-1,2,4-triazol-3-amine</common-name> <description>5-benzyl-2-[bis(dimethylamino)phosphoryl]-1,2,4-triazol-3-amine belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H21N6OP and an average molecular weight of 308.32 g/mol.</description> <cas nil="true"/> <pubchem-id>24841613</pubchem-id> <chemical-formula>C13H21N6OP</chemical-formula> <weight>308.32</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">2026-08-28T02:56:11Z</created-at> <updated-at type="dateTime">2026-08-28T02:56:11Z</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>CN(C)P(=O)(N1C(=NC(=N1)CC2=CC=CC=C2)N)N(C)C</moldb-smiles> <moldb-formula>C13H21N6OP</moldb-formula> <moldb-inchi>InChI=1S/C13H21N6OP/c1-17(2)21(20,18(3)4)19-13(14)15-12(16-19)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H2,14,15,16)</moldb-inchi> <moldb-inchikey>RRTZOARYCRFMFZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">308.1514463</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>CHEM285345</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>5-benzyl-2-[bis(dimethylamino)phosphoryl]-1,2,4-triazol-3-amine</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0241144</sync-id> <structure-inchikey>RRTZOARYCRFMFZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000080000000000000000000000000000020000000000000002004000000000000000000000002000000000000000000000000000000000000000020008000000000000000000000004000000000000000000800000000005000000000000100000008000000000000000000000041200000800000000000000000101000000100000000000000000000000000080000000000000000080000000000020000004000000000000000000000000000000000000000000000000000000000000000100000000220000000000000000000030001000040000000000000000202080000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMPACAAAAAFCAAoAAAAAwIHQCgAAAADAwZAKAAAAAMEB0AoAAAA AwMGQCgAAAADBAdAKAAAAAMDBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQcAaAAAAAMBAgcA IAAAAAMGAGAAAAABAwYAYAAAAAEDCwABAAECAAEDAAMECAIDBQAFBmgMBgdo DAcIaAwICWgMCAoACgsACwxoDAwNaAwNDmgMDg9oDA8QaAwGESADEgASEwAS FAAJBWgMEAtoDEICAAAABQUGBwgJBgwNDg8QCxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:21Z</structure-indexed-at> </compound>