Basic information
- Standard SMILES
CC1CN(Cc2ccccc2)CC1c1nn2c(C3=CCOCC3)ncc2c(=O)[nH]1- InChIKey
KZOJNVNGLJDSCN-UHFFFAOYSA-N- Molecular formula
- C22H25N5O2
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- 2-(1-Benzyl-4-methyl-pyrrolidin-3-yl)-7-(3,6-dihydro-2H-pyran-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
- IUPAC
- 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(3,6-dihydro-2H-pyran-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Names & synonyms
CHEMBL3950556SCHEMBL15142470KZOJNVNGLJDSCN-UHFFFAOYSA-N2-(1-Benzyl-4-methyl-pyrrolidin-3-yl)-7-(3,6-dihydro-2H-pyran-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Database identifiers
- PubChem CID
- 136267646
- ChEMBL
CHEMBL3950556
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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