Basic information
- Standard SMILES
CCCCCNc1nc[nH]c1C#N- InChIKey
XNDPKICMQZDDGS-UHFFFAOYSA-N- Molecular formula
- C9H14N4
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.12184646
Names & identifiers
- Preferred name
- 4-(pentylamino)-1H-imidazole-5-carbonitrile
- IUPAC
- 4-(pentylamino)-1H-imidazole-5-carbonitrile
Names & synonyms
SCHEMBL1713153XNDPKICMQZDDGS-UHFFFAOYSA-N4-(pentylamino)-1H-imidazole-5-carbonitrile
Database identifiers
- PubChem CID
- 45120565
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
14 records
Compound notes
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