Basic information
- Standard SMILES
CCCCc1nc(C#N)c(N)n1CC(C)(C)O- InChIKey
HGVUYKYSUBYYOK-UHFFFAOYSA-N- Molecular formula
- C12H20N4O
- Average molar mass
- 236.31 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-butyl-1-(2-hydroxy-2-methylpropyl)-1H-imidazole-4-carbonitrile
- IUPAC
- 5-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
Names & synonyms
5-Amino-2-butyl-1-(2-hydroxy-2-methylpropyl)-1H-imidazole-4-carbonitrileSCHEMBL14758128HGVUYKYSUBYYOK-UHFFFAOYSA-NDB-4134771375262-90-0
Database identifiers
- PubChem CID
- 71292218
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
Loading…