1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro-
Basic information
- CAS
74550-87-1- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1CC1- InChIKey
DQOYEOYSZVBYQN-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro-
- IUPAC
- 2-cyclopropyl-1-methyl-5-nitroimidazole
- English name
- 2-Cyclopropyl-1-methyl-5-nitro-1H-imidazole
- Molecular weight
- 0
Names & synonyms
1H-Imidazole, 2-cyclopropyl-1-methyl-5-nitro-2-Cyclopropyl-1-methyl-5-nitro-1H-imidazole74550-87-1DA 3851CHEMBL347332DTXSID60879113DA-3851
Database identifiers
- CAS
74550-87-1- PubChem CID
- 93445
- DTXSID
DTXSID60879113- ChEMBL
CHEMBL347332- Nikkaji
- J62.572H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
LogP1.0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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