1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8538-0154 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 323.29 |
| Molecular Formula: | C9 H9 N9 O3 S |
| Smiles: | Cn1cnnc1SCc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | -0.9373 |
| logD: | -6.9555 |
| logSw: | -0.7364 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.741 |
| InChI Key: | HRULNCRRUBFEHC-UHFFFAOYSA-N |