Basic information
- Standard SMILES
CCCCc1nc(N)c(C#N)[nH]1- InChIKey
XDHMOHNBXREFQF-UHFFFAOYSA-N- Molecular formula
- C8H12N4
- Average molar mass
- 164.21 g/mol
- Monoisotopic mass
- 164.1061964
Names & identifiers
- Preferred name
- 4-Amino-2-butyl-5-cyanoimidazole
- IUPAC
- 4-amino-2-butyl-1H-imidazole-5-carbonitrile
Names & synonyms
SCHEMBL9201986XDHMOHNBXREFQF-UHFFFAOYSA-N4-Amino-2-butyl-5-cyanoimidazole
Database identifiers
- PubChem CID
- 19106914
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
4 records
Compound notes
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