4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-0658 |
| Compound Name: | 4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 252.29 |
| Molecular Formula: | C10 H12 N4 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1N)S |
| Stereo: | ACHIRAL |
| logP: | 0.7057 |
| logD: | -0.2582 |
| logSw: | -1.5661 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 56.145 |
| InChI Key: | UVDXESRWIPPBPS-UHFFFAOYSA-N |