6-tert-butyl-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
6-tert-butyl-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0239 |
| Compound Name: | 6-tert-butyl-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C16 H22 N4 O |
| Smiles: | CC(C)c1ccc(cc1)NC1NC(C(C(C)(C)C)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5121 |
| logD: | 4.5119 |
| logSw: | -4.2666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.124 |
| InChI Key: | ZUBKLHBYKLFTBF-UHFFFAOYSA-N |