N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Chemical Structure Depiction of
N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Compound characteristics
| Compound ID: | D614-0177 |
| Compound Name: | N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C17 H16 N6 O2 |
| Smiles: | [H]C([H])(c1cccc(C#N)c1)N(C(C)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5189 |
| logD: | 1.3977 |
| logSw: | -2.0331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.597 |
| InChI Key: | HMEPQAOQTACEBR-UHFFFAOYSA-N |