358502 <common-name>3-bromo-1-(2-bromoethyl)-1,2,4-triazole</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>119032115</pubchem-id> <chemical-formula>C4H5Br2N3</chemical-formula> <weight>254.91</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">2026-09-01T06:14:33Z</created-at> <updated-at type="dateTime">2026-09-01T06:14:33Z</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=NC(=NN1CCBr)Br</moldb-smiles> <moldb-formula>C4H5Br2N3</moldb-formula> <moldb-inchi>InChI=1S/C4H5Br2N3/c5-1-2-9-3-7-4(6)8-9/h3H,1-2H2</moldb-inchi> <moldb-inchikey>LQCUOJBBLKYAPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">252.88502</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM354395</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-bromo-1-(2-bromoethyl)-1,2,4-triazole</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0308734</sync-id> <structure-inchikey>LQCUOJBBLKYAPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100800000400000000000000000000000000000000000100000000000000000000000000000002000000000000000800000000000010000000000000000000000000000000000000000000000000000004000800010000000000000000000000000000000000000000000010900000000000000000000000000000000000020000000000000004000000000000000000000000000000000000000000000000000000010080000000000000000080000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000040000000000000100000080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€��@h�������@(������@(������@(������@(�������`�������`�����#� ����#� �������h���h���h���h���������������h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:09Z</structure-indexed-at> </compound>