6-tert-butyl-3-(3-fluoroanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-3-(3-fluoroanilino)-1,2,4-triazin-5(4H)-one
6-tert-butyl-3-(3-fluoroanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0214 |
| Compound Name: | 6-tert-butyl-3-(3-fluoroanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 262.28 |
| Molecular Formula: | C13 H15 F N4 O |
| Smiles: | CC(C)(C)C1C(NC(Nc2cccc(c2)F)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3273 |
| logD: | 3.3185 |
| logSw: | -3.5565 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.124 |
| InChI Key: | BINTWTOEXDZQGM-UHFFFAOYSA-N |