5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C17H15N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C17H15N5O2 |
| Smiles | O=C(NN=C1)N=C1N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C17H15N5O2/c23-17-20-16(11-19-22-17)21-18-10-13-6-8-15(9-7-13)24-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,20,21,22,23) |
| InChIK | XAPJLOWMHTXTQZ-UHFFFAOYSA-N |
| TotalMolweight | 321.339 |
| Molweight | 321.339 |
| MonoisotopicMass | 321.122575 |
| CLogP | 2.2912 |
| CLogS | -4.807 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.44 |
| Relative PSA | 0.31387 |
| PolarSurfaceArea | 87.44 |
| Druglikeness | 3.3445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
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