2-[(4-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(4-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(4-chloroanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-0951 |
| Compound Name: | 2-[(4-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(CNc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9636 |
| logD: | -0.4236 |
| logSw: | -2.9289 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.23 |
| InChI Key: | JNAKEZHQWASTPI-UHFFFAOYSA-N |