4-amino-5-[(2H-1,3-benzodioxol-5-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-[(2H-1,3-benzodioxol-5-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-amino-5-[(2H-1,3-benzodioxol-5-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-7716 |
| Compound Name: | 4-amino-5-[(2H-1,3-benzodioxol-5-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 250.28 |
| Molecular Formula: | C10 H10 N4 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)c1nnc(n1N)S |
| Stereo: | ACHIRAL |
| logP: | 0.6329 |
| logD: | -0.0795 |
| logSw: | -1.6299 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.976 |
| InChI Key: | POCZFMYWYDZMSI-UHFFFAOYSA-N |