ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 3577-0023 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C13 H20 N8 O3 |
| Smiles: | CCOC(c1c(CN2CCN(C)CC2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.277 |
| logD: | -1.1607 |
| logSw: | 0.4776 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.802 |
| InChI Key: | ZHJGIGXKXTUMJK-UHFFFAOYSA-N |