CHEBI:80615 - 1-Methyl-4-nitroimidazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-Methyl-4-nitroimidazole
ChEBI ID CHEBI:80615
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C4H5N3O2
Net Charge 0
Average Mass 127.10140
Monoisotopic Mass 127.03818
InChI InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3
InChIKey HSCOLDQJZRZQMV-UHFFFAOYSA-N
SMILES Cn1cnc(c1)[N+]([O-])=O
ChEBI Ontology
Outgoing 1-Methyl-4-nitroimidazole (CHEBI:80615) is a C-nitro compound (CHEBI:35716)
1-Methyl-4-nitroimidazole (CHEBI:80615) is a imidazoles (CHEBI:24780)
Manual Xrefs Databases
C16621 KEGG COMPOUND
HMDB0060659 HMDB
View more database links
Registry Number Type Source
3034-41-1 CAS Registry Number KEGG COMPOUND