N-(cyanomethyl)-4-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)CC(Sc1nnc(-c2ccccc2)[nH]1)C(=O)NCC#N- InChIKey
KOSMQYBDVMEIFF-UHFFFAOYSA-N- Molecular formula
- C16H19N5OS
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.13103142
Names & identifiers
- Preferred name
- N-(cyanomethyl)-4-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
- IUPAC
- N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
Names & synonyms
SCHEMBL4700688KOSMQYBDVMEIFF-UHFFFAOYSA-NN-(cyanomethyl)-4-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
Database identifiers
- PubChem CID
- 22235889
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
1 records
Compound notes
Loading…