4-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile
4-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P664-0422 |
| Compound Name: | 4-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C20 H21 N7 O |
| Smiles: | CCc1nnc2nc(cc(C)n12)N1CCN(CC1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7879 |
| logD: | 1.7877 |
| logSw: | -2.0298 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.941 |
| InChI Key: | YUKNTUWKRGWBNK-UHFFFAOYSA-N |