methyl 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
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
methyl 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: | 8008-9345 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C12 H18 N8 O3 |
| Smiles: | CN1CCN(CC1)Cc1c(C(=O)OC)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | -0.627 |
| logD: | -1.5107 |
| logSw: | 0.5938 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.222 |
| InChI Key: | XPSOUMRLTPTVAN-UHFFFAOYSA-N |