1-methyl-1H-benzotriazole-5-carbonitrile
Chemical Structure Depiction of
1-methyl-1H-benzotriazole-5-carbonitrile
1-methyl-1H-benzotriazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8020-6531 |
| Compound Name: | 1-methyl-1H-benzotriazole-5-carbonitrile |
| Molecular Weight: | 158.16 |
| Molecular Formula: | C8 H6 N4 |
| Smiles: | Cn1c2ccc(C#N)cc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.7031 |
| logD: | 0.7031 |
| logSw: | -0.9777 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 43.278 |
| InChI Key: | ROIYELGCEZSLTK-UHFFFAOYSA-N |