5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-2199 |
| Compound Name: | 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 279.36 |
| Molecular Formula: | C12 H17 N5 O S |
| Smiles: | Cc1cc(c2nnc(n2CC2CCCO2)S)nn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4515 |
| logD: | 0.3573 |
| logSw: | -0.7891 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.855 |
| InChI Key: | QRBBBHNETNSNDE-SECBINFHSA-N |