Basic information
- Standard SMILES
N#Cc1cncnc1N1CCc2ccccc2CC1- InChIKey
PPSBQPLBPWUUNS-UHFFFAOYSA-N- Molecular formula
- C15H14N4
- Average molar mass
- 250.3 g/mol
Names & identifiers
- Preferred name
- 4-(1,2,4,5-Tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
- IUPAC
- 4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6949234
Database identifiers
- PubChem CID
- 22004069
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
1 records
Compound notes
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