5-[(2Z)-2-benzylidenehydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C10H9N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-benzylidenehydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-benzylidenehydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C10H9N5O |
| Smiles | O=C(NN=C1)N=C1N/N=C\c1ccccc1 |
| InChI | InChI=1S/C10H9N5O/c16-10-13-9(7-12-15-10)14-11-6-8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16) |
| InChIK | IAKNVMJQEHBGGW-UHFFFAOYSA-N |
| TotalMolweight | 215.215 |
| Molweight | 215.215 |
| MonoisotopicMass | 215.08071 |
| CLogP | 0.9431 |
| CLogS | -3.466 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 172.92 |
| Relative PSA | 0.40765 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | 3.7311 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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