({5-[(5-amino-1H-tetrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({5-[(5-amino-1H-tetrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
({5-[(5-amino-1H-tetrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | 8018-9546 |
| Compound Name: | ({5-[(5-amino-1H-tetrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 313.34 |
| Molecular Formula: | C12 H11 N9 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC#N)n1c(N)nnn1 |
| Stereo: | ACHIRAL |
| logP: | -0.485 |
| logD: | -0.4863 |
| logSw: | -1.0868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.689 |
| InChI Key: | GQNQAINJBCQRNO-UHFFFAOYSA-N |