4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-2440 |
| Compound Name: | 4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 256.33 |
| Molecular Formula: | C13 H12 N4 S |
| Smiles: | C(c1cccc2ccccc12)c1nnc(n1N)S |
| Stereo: | ACHIRAL |
| logP: | 1.9009 |
| logD: | 1.1885 |
| logSw: | -2.2895 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 41.589 |
| InChI Key: | PGIIWYILQYIDHT-UHFFFAOYSA-N |