5,5-dimethyl-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one
Chemical Structure Depiction of
5,5-dimethyl-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one
5,5-dimethyl-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8015-8164 |
| Compound Name: | 5,5-dimethyl-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one |
| Molecular Weight: | 206.24 |
| Molecular Formula: | C10 H14 N4 O |
| Smiles: | CC1(C)CC(=CC(C1)=O)Nc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.1878 |
| logD: | -0.6703 |
| logSw: | -1.3838 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.103 |
| InChI Key: | BGXYNMYHIFRMBV-UHFFFAOYSA-N |