Basic information
- Standard SMILES
CCOc1ccccc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1- InChIKey
JNCDDLGHNVKJQJ-UHFFFAOYSA-N- Molecular formula
- C19H22N4O2
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- 8-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
- IUPAC
- 8-cyclopentyl-2-(2-ethoxyphenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
Names & synonyms
CHEMBL1809948-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-oneSCHEMBL5891014JNCDDLGHNVKJQJ-UHFFFAOYSA-NBDBM501696518-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imidazo[1,5-alpha][1,3,5]triazin-4-one
Database identifiers
- PubChem CID
- 135723513
- ChEMBL
CHEMBL180994
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
2 records
Linked notes
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