5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C12H11N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C12H11N5O |
| Smiles | O=C(NN=C1)N=C1N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C12H11N5O/c18-12-15-11(9-14-17-12)16-13-8-4-7-10-5-2-1-3-6-10/h1-9H,(H2,15,16,17,18) |
| InChIK | KJCXVBPOBFLDQI-UHFFFAOYSA-N |
| TotalMolweight | 241.253 |
| Molweight | 241.253 |
| MonoisotopicMass | 241.09636 |
| CLogP | 0.9614 |
| CLogS | -3.758 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 199.42 |
| Relative PSA | 0.35348 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | 3.7581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
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