3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-fluorophenyl)methylideneamino]propanamide
Formula:C13H13N6O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-fluorophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-fluorophenyl)methylideneamino]propanamide |
| MolecularFormula | C13H13N6O3F |
| Smiles | O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C/c(cccc1)c1F |
| InChI | InChI=1S/C13H13FN6O3/c14-9-4-2-1-3-8(9)7-16-18-10(21)5-6-15-11-12(22)17-13(23)20-19-11/h1-4,7H,5-6H2,(H,15,19)(H,18,21)(H2,17,20,22,23) |
| InChIK | AYPXIAZAJFHTET-UHFFFAOYSA-N |
| TotalMolweight | 320.283 |
| Molweight | 320.283 |
| MonoisotopicMass | 320.103317 |
| CLogP | -0.1002 |
| CLogS | -3.52 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 240.45 |
| Relative PSA | 0.44907 |
| PolarSurfaceArea | 124.05 |
| Druglikeness | 5.5697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-fluorophenyl)methylideneamino]propanamide | 2 - 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-fluorophenyl)methylideneamino]propanamide
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