Basic information
- Standard SMILES
C[C@H](Nc1cncc(Cl)n1)c1cccc(N)c1- InChIKey
JPSLARLPNXWTJH-QMMMGPOBSA-N- Molecular formula
- C12H13ClN4
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.0828741
Names & identifiers
- Preferred name
- (S)-N-(1-(3-aminophenyl)ethyl)-6-chloropyrazin-2-amine
- IUPAC
- N-[(1S)-1-(3-aminophenyl)ethyl]-6-chloropyrazin-2-amine
Names & synonyms
(S)-N-(1-(3-aminophenyl)ethyl)-6-chloropyrazin-2-amineN-[(1S)-1-(3-aminophenyl)ethyl]-6-chloropyrazin-2-amineCHEMBL456410SCHEMBL3473529BDBM27621JPSLARLPNXWTJH-QMMMGPOBSA-NAT157471027255-35-1alpha-methylbenzylamino pyrazine deriv., 3
Database identifiers
- PubChem CID
- 25218447
- ChEMBL
CHEMBL456410
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
13 records
Compound notes
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