N-(2-hydroxyethyl)-3-methyl-2-nitroimidazole-4-carboxamide
Basic information
- CAS
82198-50-3- Standard SMILES
Cn1c(C(=O)NCCO)cnc1[N+](=O)[O-]- InChIKey
VSHSMYSFSXBYGT-UHFFFAOYSA-N- Molecular formula
- C7H10N4O4
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.07020481
Names & identifiers
- Preferred name
- N-(2-hydroxyethyl)-3-methyl-2-nitroimidazole-4-carboxamide
- IUPAC
- N-(2-hydroxyethyl)-3-methyl-2-nitroimidazole-4-carboxamide
Names & synonyms
82198-50-3N-(2-hydroxyethyl)-3-methyl-2-nitroimidazole-4-carboxamideNSC307260DTXSID90316844NSC-307260DS-002890N-(2-Hydroxyethyl)-1-methyl-2-nitro-1H-imidazole-5-carboxamide1H-IMIDAZOLE-5-CARBOXAMIDE,N-(2-HYDROXYETHYL)-1-METHYL-2-NITRO-
Database identifiers
- CAS
82198-50-3- PubChem CID
- 328577
- DTXSID
DTXSID90316844
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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