5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C10H8N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C10H8N6O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C=NN2)=NC2=O)ccc1)=O |
| InChI | InChI=1S/C10H8N6O3/c17-10-13-9(6-12-15-10)14-11-5-7-2-1-3-8(4-7)16(18)19/h1-6H,(H2,13,14,15,17) |
| InChIK | WJBMVRSCTAXOLE-UHFFFAOYSA-N |
| TotalMolweight | 260.213 |
| Molweight | 260.213 |
| MonoisotopicMass | 260.065789 |
| CLogP | 0.0215 |
| CLogS | -3.926 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 196.59 |
| Relative PSA | 0.5133 |
| PolarSurfaceArea | 124.03 |
| Druglikeness | -1.4578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off