1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8538-0130 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 372.34 |
| Molecular Formula: | C14 H16 N10 O3 |
| Smiles: | C1CN(CCN1Cc1c(C(O)=O)nnn1c1c(N)non1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | -0.3798 |
| logD: | -6.033 |
| logSw: | -0.6092 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.603 |
| InChI Key: | GGPVYLXTUKGDLZ-UHFFFAOYSA-N |