320875 <common-name>6-benzyl-9-methyl-3-phenyl-[1,2,4]triazolo[3,4-f]purin-5-one</common-name> <description>6-benzyl-9-methyl-3-phenyl-[1,2,4]triazolo[3,4-f]purin-5-one is a chemical compound with the formula C20H16N6O. It has an average molecular weight of 356.40 g/mol.</description> <cas>135445-98-6</cas> <pubchem-id>3077749</pubchem-id> <chemical-formula>C20H16N6O</chemical-formula> <weight>356.4</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">2026-08-29T20:01:51Z</created-at> <updated-at type="dateTime">2026-08-29T20:01:51Z</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>CN1C=NC2=C1C3=NN=C(N3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C20H16N6O</moldb-formula> <moldb-inchi>InChI=1S/C20H16N6O/c1-24-13-21-18-16(24)19-23-22-17(15-10-6-3-7-11-15)26(19)20(27)25(18)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3</moldb-inchi> <moldb-inchikey>NHSJQZVUAOVWLP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">356.1385592</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM316768</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>6-benzyl-9-methyl-3-phenyl-[1,2,4]triazolo[3,4-f]purin-5-one</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>CED0271604</sync-id> <structure-inchikey>NHSJQZVUAOVWLP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000020000100000000002004000000000000000001000000200000400000000800000000000000000000000020000000000000000000008000000010000000200000000000000000000100000000000900000000000000000000000000000040200000800000000000004000880000002110000000000000000000000000000000000000000000080000004000000080080000000000000804000000000000000000000000000000000020000010008000002000000220040000000000000000000000000040800000000000000000080000040000000000000000</structure-fingerprint> 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