280052 <common-name>3-(1,3-benzodioxol-5-yl)-4-methyl-1h-1,2,4-triazol-5-one</common-name> <description>3-(1,3-benzodioxol-5-yl)-4-methyl-1h-1,2,4-triazol-5-one belongs to the triazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the formula C10H9N3O3 and an average molecular weight of 219.20 g/mol.</description> <cas>108132-88-3</cas> <pubchem-id>3065481</pubchem-id> <chemical-formula>C10H9N3O3</chemical-formula> <weight>219.2</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">2026-08-26T20:02:18Z</created-at> <updated-at type="dateTime">2026-08-26T20:02:18Z</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(=NNC1=O)C2=CC3=C(C=C2)OCO3</moldb-smiles> <moldb-formula>C10H9N3O3</moldb-formula> <moldb-inchi>InChI=1S/C10H9N3O3/c1-13-9(11-12-10(13)14)6-2-3-7-8(4-6)16-5-15-7/h2-4H,5H2,1H3,(H,12,14)</moldb-inchi> <moldb-inchikey>QWYJYHUAIBWZQX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">219.0643912</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</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>CHEM275945</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>3-(1,3-benzodioxol-5-yl)-4-methyl-1h-1,2,4-triazol-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>CED0232093</sync-id> <structure-inchikey>QWYJYHUAIBWZQX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000020000000000000000000008000000000000000000000000000000000000020000000000000002000000000000000400000000000000000000000000000080000000000000000000020800000000000000000002000020000000000000000010000000000100000800000020100000000000000000000000010000140000000000000200000004000800000000000400000000000000000000000000000000004000000080000000000000000000000000000000000000000000000000000000000000000010000001000000000002000000200000000000080000000000000010040000000400000000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@8�������@(�������(������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�����������h���h���h���h���(��� ��h�� h� h� �h���h� �������h���h�� B������������ ���� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:16Z</structure-indexed-at> </compound>