362225 <common-name>6-chloro-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine</common-name> <description>6-chloro-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine is a chemical compound with the formula C7H5ClN4O2. It has an average molecular weight of 212.59 g/mol.</description> <cas>121139-99-9</cas> <pubchem-id>135455586</pubchem-id> <chemical-formula>C7H5ClN4O2</chemical-formula> <weight>212.59</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">2026-09-01T11:21:41Z</created-at> <updated-at type="dateTime">2026-09-01T11:21:41Z</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>C1=CC2=C(C=C1Cl)[N+](=C(N=[N+]2[O-])N)[O-]</moldb-smiles> <moldb-formula>C7H5ClN4O2</moldb-formula> <moldb-inchi>InChI=1S/C7H5ClN4O2/c8-4-1-2-5-6(3-4)11(13)7(9)10-12(5)14/h1-3H,(H2,9,10)</moldb-inchi> <moldb-inchikey>FJUGBXQAYWGSSI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">212.0101031</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM358118</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-chloro-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine</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>Triazines</klass> <subklass>Aminotriazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0312310</sync-id> <structure-inchikey>FJUGBXQAYWGSSI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000080000000000000000000000000000001000000002000000000000000080001000000000100400000000000400000082000000000000000000000001000001000000008000000080000000080000000800000100000000000000000000000000000000000000000000010000000000000000000000000001000000000000000000000000000000000002000000000000000080000000000000000004000000000000000000000000000000000000000000040000000000010000000000000000200000000000000000000002000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEEQAgAAAAAQdg KgAAAAEDBAZAKAAAAAMEB0AoAAAAAwMHYCoAAAABAwQIICoAAAD/AwEHAGgA AAADAQIIICoAAAD/AwELAAFoDAECaAwCA2gMAwRoDAQFaAwFBgADB2gMBwho DAgJaAwJCmgMCgsgCAwgBw0gBQBoDAoCaAxCAgAAAAYABQQDAgEGBwgJCgID FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:20Z</structure-indexed-at> </compound>