4-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazine-1-carbonyl]benzonitrile
4-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V006-0585 |
| Compound Name: | 4-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C21 H21 N7 O |
| Smiles: | C1CCC2C(C1)=C(N1CCN(CC1)C(c1ccc(C#N)cc1)=O)n1c(N=2)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 1.8749 |
| logD: | 1.8749 |
| logSw: | -2.1139 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 73.143 |
| InChI Key: | OXPLAMDKFAHLKS-UHFFFAOYSA-N |