N-(3-chloro-4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
N-(3-chloro-4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | 8016-5932 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 305.72 |
| Molecular Formula: | C13 H12 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(C1CC(n2cnnc2N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3575 |
| logD: | 1.3522 |
| logSw: | -2.6405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.266 |
| InChI Key: | QSZDXIMAVXHCNZ-JTQLQIEISA-N |