Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C(C)CC)c2nc(C)nn12- InChIKey
OYQKCWKTUNWCKD-UHFFFAOYSA-N- Molecular formula
- C27H29N5O
- Average molar mass
- 439.6 g/mol
Names & identifiers
- Preferred name
- 4'-{[2-Methyl-4-(1-methylpropyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
- IUPAC
- 2-[4-[(4-butan-2-yl-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile
Names & synonyms
SCHEMBL1371794OYQKCWKTUNWCKD-UHFFFAOYSA-N4'-{[2-methyl-4-(1-methylpropyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67009199
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 777
Related reactions
11 records
Compound notes
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