Basic information
- Standard SMILES
O=C(NCc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCN1- InChIKey
OUJLIFJXQIVKEL-LBPRGKRZSA-N- Molecular formula
- C14H16ClN5O
- Average molar mass
- 305.76 g/mol
- Monoisotopic mass
- 305.1043378
Names & identifiers
- Preferred name
- N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]-L-prolinamide
- IUPAC
- (2S)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL6078060OUJLIFJXQIVKEL-LBPRGKRZSA-NN-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]-L-prolinamide
Database identifiers
- PubChem CID
- 69656007
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
4 records
Compound notes
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