1-methyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-methyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylic acid
1-methyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y502-4285 |
| Compound Name: | 1-methyl-5-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 239.25 |
| Molecular Formula: | C8 H9 N5 O2 S |
| Smiles: | Cn1c(c2cc(C(O)=O)nn2C)nnc1S |
| Stereo: | ACHIRAL |
| logP: | -0.6197 |
| logD: | -3.6323 |
| logSw: | -0.3697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.72 |
| InChI Key: | VGWSPOOSEHFIPF-UHFFFAOYSA-N |