Basic information
- Standard SMILES
CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2cnccn2)c2c1C[C@@H]1C[C@H]21- InChIKey
TVCYLBQVKJBKGA-GMXVVIOVSA-N- Molecular formula
- C18H23N5O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.18517499
Names & identifiers
- Preferred name
- (1aS,5aS)-2-Pyrazin-2-yl-1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic Acid ((S)-1-Hydroxymethyl-2,2-dimethyl-propyl)-amide
- IUPAC
- (2S,4S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Names & synonyms
CHEMBL4171474SCHEMBL11995415SCHEMBL29717787TVCYLBQVKJBKGA-GMXVVIOVSA-NBDBM50286055(1aS,5aS)-2-Pyrazin-2-yl-1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic Acid ((S)-1-Hydroxymethyl-2,2-dimethyl-propyl)-amide
Database identifiers
- PubChem CID
- 60168437
- ChEMBL
CHEMBL4171474
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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