1-methyl-1H-benzotriazole-5,6-dicarbonitrile
Chemical Structure Depiction of
1-methyl-1H-benzotriazole-5,6-dicarbonitrile
1-methyl-1H-benzotriazole-5,6-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-1532 |
| Compound Name: | 1-methyl-1H-benzotriazole-5,6-dicarbonitrile |
| Molecular Weight: | 183.17 |
| Molecular Formula: | C9 H5 N5 |
| Smiles: | Cn1c2cc(C#N)c(C#N)cc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.48 |
| logD: | 0.48 |
| logSw: | -1.2702 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 60.334 |
| InChI Key: | XHOUXNCHEMZSQG-UHFFFAOYSA-N |