362565 <common-name>1-methyl-2-nitro-5-prop-1-en-2-ylimidazole</common-name> <description>1-methyl-2-nitro-5-prop-1-en-2-ylimidazole is a chemical compound with the formula C7H9N3O2. It has an average molecular weight of 167.17 g/mol.</description> <cas>64157-78-4</cas> <pubchem-id>116559</pubchem-id> <chemical-formula>C7H9N3O2</chemical-formula> <weight>167.17</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">2026-09-01T11:51:57Z</created-at> <updated-at type="dateTime">2026-09-01T11:51:57Z</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>CC(=C)C1=CN=C(N1C)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C7H9N3O2</moldb-formula> <moldb-inchi>InChI=1S/C7H9N3O2/c1-5(2)6-4-8-7(9(6)3)10(11)12/h4H,1H2,2-3H3</moldb-inchi> <moldb-inchikey>WJJIYICPEUKHDG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">167.0694765</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</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>CHEM358458</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>1-methyl-2-nitro-5-prop-1-en-2-ylimidazole</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" nil="true"/> <sync-id>CED0312626</sync-id> <structure-inchikey>WJJIYICPEUKHDG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000001800000000000000000080000000000000100000020000000000000001000000040400000000000010000000300000000000000000000000100000080000000000000420000000040000000000000000000084000000000001000000000000000000000000000000000000000000200080000000010000000080000000000000000000100000020000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������h�������@(������@h�������@(������@(������@(�������`������ *��������(������ *���ÿ��������(��� ��h���h���h���h����� (� � ��h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:33Z</structure-indexed-at> </compound>