Basic information
- Standard SMILES
Cn1cncc1CN1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1- InChIKey
BWBAQEVVJLKMGY-UHFFFAOYSA-N- Molecular formula
- C14H18BrN7O2
- Average molar mass
- 396.24 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-4-(4-((1-methyl-1H-imidazol-5-yl)methyl)piperazin-1-yl)-3-nitropyridin-2-amine
- IUPAC
- 5-bromo-4-[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]-3-nitropyridin-2-amine
Names & synonyms
SCHEMBL208493BWBAQEVVJLKMGY-UHFFFAOYSA-N5-Bromo-4-(4-((1-methyl-1H-imidazol-5-yl)methyl)piperazin-1-yl)-3-nitropyridin-2-amine
Database identifiers
- PubChem CID
- 57897286
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 443
Related reactions
5 records
Compound notes
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