2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | S336-0081 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 263.72 |
| Molecular Formula: | C13 H14 Cl N3 O |
| Smiles: | C1CCN2C(C1)=NN(Cc1ccc(cc1)[Cl])C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.7643 |
| logD: | 2.764 |
| logSw: | -3.3055 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.185 |
| InChI Key: | AJIWEKAHGXRFKL-UHFFFAOYSA-N |