299714 <common-name>6-(2-chlorophenyl)-2,4-dihydrotriazolo[4,5-d][2]benzazepine</common-name> <description>6-(2-chlorophenyl)-2,4-dihydrotriazolo[4,5-d][2]benzazepine belongs to the benzazepines, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C16H11ClN4 and an average molecular weight of 294.74 g/mol.</description> <cas>78131-57-4</cas> <pubchem-id>3060449</pubchem-id> <chemical-formula>C16H11ClN4</chemical-formula> <weight>294.74</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">2026-08-28T16:22:05Z</created-at> <updated-at type="dateTime">2026-08-28T16:22:05Z</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>C1C2=NNN=C2C3=CC=CC=C3C(=N1)C4=CC=CC=C4Cl</moldb-smiles> <moldb-formula>C16H11ClN4</moldb-formula> <moldb-inchi>InChI=1S/C16H11ClN4/c17-13-8-4-3-7-12(13)15-10-5-1-2-6-11(10)16-14(9-18-15)19-21-20-16/h1-8H,9H2,(H,19,20,21)</moldb-inchi> <moldb-inchikey>AXCCJZGBGJKQEI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">294.0672241</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM295607</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>6-(2-chlorophenyl)-2,4-dihydrotriazolo[4,5-d][2]benzazepine</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>Benzazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0251004</sync-id> <structure-inchikey>AXCCJZGBGJKQEI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8010000000000000000000000000000000000000000000000100000008002002000000000000000000000000000000000000000000000404000000000000080000000000000000000000008000000000000000000000000000000000000004000000000020000000000020080000000000000001000000000808082200000000000000000000120000000000000000000000000000000000000080020080000000000000000000000000000000200000080000000000000000000000000002000000010000000000000000200000000000000000000000000000040000000000000000008000000000000080000000000</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�� h� h� �h��� � (��� ��h���h���h���h���h���� ����h���h���h�B����������� ��������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:09:59Z</structure-indexed-at> </compound>