| MolName | 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C10H10N6O3S |
| Smiles | O=C(CNC(C(N1)=O)=NNC1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C10H10N6O3S/c17-7(14-12-4-6-2-1-3-20-6)5-11-8-9(18)13-10(19)16-15-8/h1-4H,5H2,(H,11,15)(H,14,17)(H2,13,16,18,19) |
| InChIK | RWZISEVUSBFCGE-UHFFFAOYSA-N |
| TotalMolweight | 294.294 |
| Molweight | 294.294 |
| MonoisotopicMass | 294.053509 |
| CLogP | -0.7888 |
| CLogS | -2.946 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 216.28 |
| Relative PSA | 0.5934 |
| PolarSurfaceArea | 152.29 |
| Druglikeness | 8.2468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide