5-benzyl-3-(3-nitrophenyl)-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
5-benzyl-3-(3-nitrophenyl)-1,2,4-triazin-6(1H)-one
5-benzyl-3-(3-nitrophenyl)-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1517 |
| Compound Name: | 5-benzyl-3-(3-nitrophenyl)-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 308.29 |
| Molecular Formula: | C16 H12 N4 O3 |
| Smiles: | C(C1C(NN=C(c2cccc(c2)[N+]([O-])=O)N=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7591 |
| logD: | 2.759 |
| logSw: | -3.3368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.69 |
| InChI Key: | VFYJALMFIDRGRC-UHFFFAOYSA-N |