68812 <common-name>2-Ethyl-4-nitro-1H-imidazole</common-name> <description>2-Ethyl-4-nitro-1H-imidazole belongs to the imidazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the formula C5H7N3O2 and an average molecular weight of 141.13 g/mol.</description> <cas>13230-03-0</cas> <pubchem-id>83249</pubchem-id> <chemical-formula>C5H7N3O2</chemical-formula> <weight nil="true"/> <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">2026-04-03T13:34:26Z</created-at> <updated-at type="dateTime">2026-04-03T13:34:26Z</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>CCC1=NC=C(N1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C5H7N3O2</moldb-formula> <moldb-inchi>InChI=1S/C5H7N3O2/c1-2-4-6-3-5(7-4)8(9)10/h3H,2H2,1H3,(H,6,7)</moldb-inchi> <moldb-inchikey>MXZXOOFZKJEV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">141.13</moldb-average-mass> <moldb-mono-mass type="decimal">141.053826</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>75114</chemspider-id> <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>CHEM064705</chemdb-id> <dsstox-id>DTXSID20157469</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024201</susdat-id> <iupac>2-ethyl-5-nitro-1H-imidazole</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>Imidazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0167846</sync-id> <structure-inchikey>MXNAZXOOFZKJEV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000040000000000900000000000000000000000000040000000000000000000000002000000000000000000002000000000000000000000000000000000000000000000000000000000000000000020000000000000001000000000400000000000000000000200000000000000000000400000000000000000000000000000000040000000000000200010000000000000001000800000000000000000000000000000000000000000080001000000080000080000000000000000000100000000000000000000000000000000000000000000000000004000000000000100000000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBgBgAAAAAQMGAGAAAAAC AgZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEGQCgAAAADBAdAOAAAAAMBAwcg KgAAAAEDBAggKgAAAP8DAQgAKAAAAAMCCwABAAECAAIDaAwDBGgMBAVoDAUG aAwFByAHCCAHCSgCBgJoDEIBAAAABQIDBAUGFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:42Z</structure-indexed-at> </compound>