305914 <common-name>9-methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]purin-5-one</common-name> <description>9-methyl-6-propyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]purin-5-one belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C17H15F3N6O and an average molecular weight of 376.34 g/mol.</description> <cas>135445-86-2</cas> <pubchem-id>3077737</pubchem-id> <chemical-formula>C17H15F3N6O</chemical-formula> <weight>376.34</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">2026-08-28T23:36:56Z</created-at> <updated-at type="dateTime">2026-08-28T23:36:56Z</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>CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)C(F)(F)F)N(C=N2)C</moldb-smiles> <moldb-formula>C17H15F3N6O</moldb-formula> <moldb-inchi>InChI=1S/C17H15F3N6O/c1-3-8-25-14-12(24(2)9-21-14)15-23-22-13(26(15)16(25)27)10-4-6-11(7-5-10)17(18,19)20/h4-7,9H,3,8H2,1-2H3</moldb-inchi> <moldb-inchikey>IRDALKBZZCVJJG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">376.1259436</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM301807</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>9-methyl-6-propyl-3-[4-(trifluoromethyl)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>CED0256989</sync-id> <structure-inchikey>IRDALKBZZCVJJG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000020000000000000000000000000000000000000000000020000200000000000800021000000000000000001010000002000004000000008000000000000000000000000200000000000000000000080000000100000202040080000000000000001008000000009000000000000000000000000000000400000000000000000000040008800000020100000000000000800000000000000000000000000000800000040400000800c0000000000000804000000000000000000000000000000000020400000008000002000000200000000000000000000000000000040800000000000800000000000040000000000000000</structure-fingerprint> 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