N-(4-cyanophenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-cyanophenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-3101 |
| Compound Name: | N-(4-cyanophenyl)-2-[5-methyl-3-oxo-7-(pyridin-2-yl)[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 385.38 |
| Molecular Formula: | C20 H15 N7 O2 |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N12)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.6623 |
| logD: | 1.6539 |
| logSw: | -2.1641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.243 |
| InChI Key: | DIWHWWHJVCFGHI-UHFFFAOYSA-N |