5,5-dimethyl-2-phenyl-1,2,4-triazolidin-3-one
Chemical Structure Depiction of
5,5-dimethyl-2-phenyl-1,2,4-triazolidin-3-one
5,5-dimethyl-2-phenyl-1,2,4-triazolidin-3-one
Compound characteristics
| Compound ID: | 8017-7100 |
| Compound Name: | 5,5-dimethyl-2-phenyl-1,2,4-triazolidin-3-one |
| Molecular Weight: | 191.23 |
| Molecular Formula: | C10 H13 N3 O |
| Smiles: | CC1(C)NC(N(c2ccccc2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.763 |
| logD: | 1.763 |
| logSw: | -2.0828 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.54 |
| InChI Key: | XJXPBRAVNRXHHS-UHFFFAOYSA-N |