Basic information
- Standard SMILES
CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCOCC2)c2nc(C)nn12- InChIKey
BTIXVAYMNKREJA-UHFFFAOYSA-N- Molecular formula
- C29H31N5O2
- Average molar mass
- 481.6 g/mol
Names & identifiers
- Preferred name
- 4'-{[7-butyl-2-methyl-5-oxo-4-(tetrahydro-2H-pyran-4-yl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[7-butyl-2-methyl-4-(oxan-4-yl)-5-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1370040BTIXVAYMNKREJA-UHFFFAOYSA-N4'-{[7-butyl-2-methyl-5-oxo-4-(tetrahydro-2H-pyran-4-yl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67008586
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 851
Related reactions
10 records
Compound notes
Loading…