5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C8H7N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C8H7N5O2 |
| Smiles | O=C(NN=C1)N=C1N/N=C\c1ccco1 |
| InChI | InChI=1S/C8H7N5O2/c14-8-11-7(5-10-13-8)12-9-4-6-2-1-3-15-6/h1-5H,(H2,11,12,13,14) |
| InChIK | YCCWLJGKOCGSMA-UHFFFAOYSA-N |
| TotalMolweight | 205.177 |
| Molweight | 205.177 |
| MonoisotopicMass | 205.059975 |
| CLogP | 0.1318 |
| CLogS | -3.148 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 162.61 |
| Relative PSA | 0.52026 |
| PolarSurfaceArea | 91.35 |
| Druglikeness | 3.5557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| StereoCon |
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1 - 5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
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