300382 <common-name>N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine</common-name> <description>N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. It is an organoheterocyclic compound with the formula C16H13N5 and an average molecular weight of 275.31 g/mol.</description> <cas>87539-90-0</cas> <pubchem-id>3071189</pubchem-id> <chemical-formula>C16H13N5</chemical-formula> <weight>275.31</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">2026-08-28T17:15:36Z</created-at> <updated-at type="dateTime">2026-08-28T17:15:36Z</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>CNC1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4</moldb-smiles> <moldb-formula>C16H13N5</moldb-formula> <moldb-inchi>InChI=1S/C16H13N5/c1-17-14-12-9-5-6-10-13(12)16-19-18-15(21(16)20-14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)</moldb-inchi> <moldb-inchikey>GLRABDXTKZYASM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">275.1170954</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM296275</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>N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-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>Organoheterocyclic compounds</superklass> <klass>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0251658</sync-id> <structure-inchikey>GLRABDXTKZYASM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>9100000000000000000000000000000000000000000000000000022004000008000000000000000002200000000000000000000000000000000000000000000000000000080000008000000000000000000000000000000000000000002000000100000000000000000000000000000040000000800000000000000080880000000100000000000000000000000000000000000000040000080000010000020000000000000000200800000000000000040000000000000000000020000000008000002000080200000000000000000000000000000040000000000000000000080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAGAAAAIABBgBgAAAAAQMHAGgAAAAD AgEGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDB0Ao AAAAAwMGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAiACA2gMAwRoDAQF aAwFBmgMBgdoDAcIaAwICWgMCQpoDAoLaAwLDGgMDA1oDA0OaAwFDyAPEGgM EBFoDBESaAwSE2gMExRoDA4CaAwIBGgMDgloDBQPaAxCBAAAAAYCDgkIBAMF BgUECAcGCgsMDQ4JBhAREhMUDxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:27Z</structure-indexed-at> </compound>