2-[(3-chloro-2-methylanilino)methyl]-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(3-chloro-2-methylanilino)methyl]-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(3-chloro-2-methylanilino)methyl]-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1800 |
| Compound Name: | 2-[(3-chloro-2-methylanilino)methyl]-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 331.8 |
| Molecular Formula: | C16 H18 Cl N5 O |
| Smiles: | CC(C)C1=CC(n2c(N1)nc(CNc1cccc(c1C)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4194 |
| logD: | 0.529 |
| logSw: | -3.6829 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.034 |
| InChI Key: | BNPLDFGNMISNOE-UHFFFAOYSA-N |