Basic information
- Standard SMILES
CN1C[C@@H]2C[C@H]1CN2c1cc(C#N)cc(N)c1Cl- InChIKey
YPSBHESIHDVQIX-UWVGGRQHSA-N- Molecular formula
- C13H15ClN4
- Average molar mass
- 262.74 g/mol
Names & identifiers
- Preferred name
- 3-amino-4-chloro-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)benzonitrile
- IUPAC
- 3-amino-4-chloro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzonitrile
Names & synonyms
SCHEMBL15413886YPSBHESIHDVQIX-UWVGGRQHSA-N3-amino-4-chloro-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)benzonitrile
Database identifiers
- PubChem CID
- 89922579
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
1 records
Compound notes
Loading…