326396 <common-name>8-chloro-1-(4-methylpiperazin-1-yl)-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine</common-name> <description>8-chloro-1-(4-methylpiperazin-1-yl)-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine is a chemical compound with the formula C21H21ClN6. It has an average molecular weight of 392.90 g/mol.</description> <cas nil="true"/> <pubchem-id>12562524</pubchem-id> <chemical-formula>C21H21ClN6</chemical-formula> <weight>392.9</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">2026-08-30T04:39:38Z</created-at> <updated-at type="dateTime">2026-08-30T04:39:38Z</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>CN1CCN(CC1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C21H21ClN6</moldb-formula> <moldb-inchi>InChI=1S/C21H21ClN6/c1-26-9-11-27(12-10-26)21-25-24-19-14-23-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)28(19)21/h2-8,13H,9-12,14H2,1H3</moldb-inchi> <moldb-inchikey>CDXVRKYAZPDCRX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">392.1516224</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM322289</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-chloro-1-(4-methylpiperazin-1-yl)-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277016</sync-id> <structure-inchikey>CDXVRKYAZPDCRX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20080000000000000000000000000010000000400000000010080000000000000000000000000020000008000002004000100040000000000010000000000000000000000400000000000000080000000000000000000000008008000000000000000000080400010000001104000020080020100000000000200000000000000000040000000800000000000004000880000000100000000080000000000000100000000000000000400080000000000000000000000008000000800000000000000100000000000000000000800000010000002000000000200000000000000000000000000000040000000001000000000000000000040000000000000</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� �h���h���h���h���� � ��(������ ��h���h���h���h���h������h�� ���h���h�B��������������� ������ ��� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:02Z</structure-indexed-at> </compound>