(2S)-2-amino-N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]butanamide
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Basic information
- Standard SMILES
CC[C@H](N)C(=O)NCc1cc(Cl)ccc1-n1cncn1- InChIKey
SYBYYINAWRRDBF-NSHDSACASA-N- Molecular formula
- C13H16ClN5O
- Average molar mass
- 293.75 g/mol
Names & identifiers
- Preferred name
- (2S)-2-amino-N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]butanamide
- IUPAC
- (2S)-2-amino-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
Names & synonyms
SCHEMBL6078817SYBYYINAWRRDBF-NSHDSACASA-N(2S)-2-amino-N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]butanamide
Database identifiers
- PubChem CID
- 69656288
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
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Related reactions
1 records
Compound notes
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