1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1743 |
| Compound Name: | 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 202.21 |
| Molecular Formula: | C10 H10 N4 O |
| Smiles: | CC(n1c(N)nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9916 |
| logD: | 0.9916 |
| logSw: | -1.4677 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.586 |
| InChI Key: | BVZXLAVNQAOTHA-UHFFFAOYSA-N |