8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
Chemical Structure Depiction of
8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
Compound characteristics
| Compound ID: | Y021-3444 |
| Compound Name: | 8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C11 H13 N5 O S |
| Smiles: | CC1(C)CC2=C(C(=C1)O)N=Nc1nc(nn12)SC |
| Stereo: | ACHIRAL |
| logP: | 2.6503 |
| logD: | 2.456 |
| logSw: | -2.4508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.598 |
| InChI Key: | NHAVQRNFCOXVHM-UHFFFAOYSA-N |