2-[2-(5-amino-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(5-amino-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(5-amino-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-8498 |
| Compound Name: | 2-[2-(5-amino-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 257.25 |
| Molecular Formula: | C12 H11 N5 O2 |
| Smiles: | C(CN1C(c2ccccc2C1=O)=O)c1nc(N)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 0.3434 |
| logD: | 0.3431 |
| logSw: | -2.0112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.983 |
| InChI Key: | KSDXFQADPHAOLF-UHFFFAOYSA-N |