4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzonitrile
Chemical Structure Depiction of
4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzonitrile
4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzonitrile
Compound characteristics
| Compound ID: | 8019-5772 |
| Compound Name: | 4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzonitrile |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C18 H17 N5 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(C#N)cc3)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4159 |
| logD: | 2.0433 |
| logSw: | -2.8899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.613 |
| InChI Key: | UMZOLLZSKXCMGG-INIZCTEOSA-N |