benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8007-3877 |
| Compound Name: | benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C13 H12 N6 O3 |
| Smiles: | Cc1c(C(=O)OCc2ccccc2)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 1.5198 |
| logD: | 1.5198 |
| logSw: | -1.4641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.187 |
| InChI Key: | MYIYXJGHGYOALD-UHFFFAOYSA-N |