propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8007-3858 |
| Compound Name: | propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 252.23 |
| Molecular Formula: | C9 H12 N6 O3 |
| Smiles: | CC(C)OC(c1c(C)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8603 |
| logD: | 0.8603 |
| logSw: | -0.4759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.762 |
| InChI Key: | KUDMMCRYZIYTOB-UHFFFAOYSA-N |