2-[(2-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(2-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(2-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1277 |
| Compound Name: | 2-[(2-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 289.72 |
| Molecular Formula: | C13 H12 Cl N5 O |
| Smiles: | CC1=CC(n2c(N1)nc(CNc1ccccc1[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7177 |
| logD: | -0.6695 |
| logSw: | -2.4715 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.532 |
| InChI Key: | AYGFJUCEONQCMJ-UHFFFAOYSA-N |