6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione
Formula:C8H7N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.
| MolName | 6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione |
| MolecularFormula | C8H7N5O3 |
| Smiles | O=C(C(N/N=C\c1ccco1)=NN1)NC1=O |
| InChI | InChI=1S/C8H7N5O3/c14-7-6(12-13-8(15)10-7)11-9-4-5-2-1-3-16-5/h1-4H,(H,11,12)(H2,10,13,14,15) |
| InChIK | MPGZGZYTZFNTIX-UHFFFAOYSA-N |
| TotalMolweight | 221.176 |
| Molweight | 221.176 |
| MonoisotopicMass | 221.05489 |
| CLogP | -0.5504 |
| CLogS | -2.851 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 167.06 |
| Relative PSA | 0.58416 |
| PolarSurfaceArea | 108.09 |
| Druglikeness | 5.5561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione | 2 - 6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off