methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8538-0283 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 385.38 |
| Molecular Formula: | C16 H19 N9 O3 |
| Smiles: | COC(c1c(CN2CCN(CC2)c2ccccn2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8578 |
| logD: | 0.7909 |
| logSw: | -1.3832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.517 |
| InChI Key: | KHUGUANAGKZCSN-UHFFFAOYSA-N |