325885 <common-name>2-[5-(4-methylanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol</common-name> <description>2-[5-(4-methylanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol is a chemical compound with the formula C21H18N4O. It has an average molecular weight of 342.40 g/mol.</description> <cas>82619-91-8</cas> <pubchem-id>3068019</pubchem-id> <chemical-formula>C21H18N4O</chemical-formula> <weight>342.4</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">2026-08-30T03:52:23Z</created-at> <updated-at type="dateTime">2026-08-30T03:52:23Z</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>CC1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O</moldb-smiles> <moldb-formula>C21H18N4O</moldb-formula> <moldb-inchi>InChI=1S/C21H18N4O/c1-15-11-13-16(14-12-15)22-21-24-23-20(18-9-5-6-10-19(18)26)25(21)17-7-3-2-4-8-17/h2-14,26H,1H3,(H,22,24)</moldb-inchi> <moldb-inchikey>JXHBMNUNLPAEMB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">342.1480612</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</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>CHEM321778</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>2-[5-(4-methylanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol</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>CED0276510</sync-id> <structure-inchikey>JXHBMNUNLPAEMB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200020000000000000000000050000000100000000001000000000000000000000000000008000002004000000000000000000000000100000000000000000000000000000000000000000000002000000000000000000000000000000010000000010000000000000000000000100000000000080000000000000004040000000800000000000100080080000000100000000000000000000000000000000000000004000080000000000000000000000000000000800080000000000000000002100000000000000000000000000002000000200000000000000000141000000000040000000000080210000000000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BwBoAAAAAwIBBkAoAAAAAwQHQCgAAAADAwdAKAAAAAMDBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQCgAAAADBAgAaAAAAAMBAQsAAQABAmgMAgNoDAMEaAwE BWgMBQZoDAQHIAcIIAgJaAwJCmgMCgtoDAsMaAwMDSANDmgMDg9oDA8QaAwQ EWgMERJoDAsTIBMUaAwUFWgMFRZoDBYXaAwXGGgMGBkgBgFoDAwIaAwSDWgM GBNoDEIEAAAABgEGBQQDAgUJCAwLCgYODxAREg0GFBUWFxgTFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:42Z</structure-indexed-at> </compound>