6-tert-butyl-3-{2-[(2-nitrophenyl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-3-{2-[(2-nitrophenyl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
6-tert-butyl-3-{2-[(2-nitrophenyl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 8013-9991 |
| Compound Name: | 6-tert-butyl-3-{2-[(2-nitrophenyl)methylidene]hydrazinyl}-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 316.32 |
| Molecular Formula: | C14 H16 N6 O3 |
| Smiles: | CC(C)(C)C1C(NC(N/N=C/c2ccccc2[N+]([O-])=O)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1677 |
| logD: | 3 |
| logSw: | -3.5409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.429 |
| InChI Key: | YJZOSIRZYYEDLV-OVCLIPMQSA-N |