5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile
5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8011-7320 |
| Compound Name: | 5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile |
| Molecular Weight: | 199.21 |
| Molecular Formula: | C10 H9 N5 |
| Smiles: | C(c1ccccc1)n1c(c(C#N)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 0.7896 |
| logD: | 0.7896 |
| logSw: | -0.963 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.748 |
| InChI Key: | XWQIUVCDURLODQ-UHFFFAOYSA-N |