303098 <common-name>8-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine</common-name> <description>8-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine belongs to the triazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the formula C16H22N4O3 and an average molecular weight of 318.37 g/mol.</description> <cas>124963-19-5</cas> <pubchem-id>3079269</pubchem-id> <chemical-formula>C16H22N4O3</chemical-formula> <weight>318.37</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">2026-08-28T20:15:27Z</created-at> <updated-at type="dateTime">2026-08-28T20:15:27Z</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>CN1CCCN2C(=NN=C2C3=CC(=C(C(=C3)OC)OC)OC)C1</moldb-smiles> <moldb-formula>C16H22N4O3</moldb-formula> <moldb-inchi>InChI=1S/C16H22N4O3/c1-19-6-5-7-20-14(10-19)17-18-16(20)11-8-12(21-2)15(23-4)13(9-11)22-3/h8-9H,5-7,10H2,1-4H3</moldb-inchi> <moldb-inchikey>KQXALORRVKNLHL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">318.1691906</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</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>CHEM298991</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>8-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine</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>CED0254304</sync-id> <structure-inchikey>KQXALORRVKNLHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000020400000002000020000000400100000002008000000040000000000000000000000000000000000000000000000000000000000000000000100000000000000000800000000000000002044000000100000000000020100000000000010000000000800000040000010000000000000004000880000000000000000000000000000000000000000000000000000080000000000000000000000008000800800000080000000000000010000000000000800000000000000002000000000000000000000000000000000000040000800000000000020000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`������@(������@(������@(������@(������@(������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�������`�����������������������h���h���h�� h� �h���h�� h� �h���h��� ��� � ����� ��������� �h�� h�B���������������� ���� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:26Z</structure-indexed-at> </compound>