2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-8470 |
| Compound Name: | 2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 243.22 |
| Molecular Formula: | C11 H9 N5 O2 |
| Smiles: | C(c1nc(N)[nH]n1)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1263 |
| logD: | 0.1261 |
| logSw: | -2.1789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.005 |
| InChI Key: | XUZOXROUZQICEP-UHFFFAOYSA-N |