| MolName | N-[(Z)-(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide |
| MolecularFormula | C10H9N7O5 |
| Smiles | O=C(CC(C(N1)=O)=NNC1=O)N/N=C\C(NC(N1)=O)=CC1=O |
| InChI | InChI=1S/C10H9N7O5/c18-6-1-4(12-9(21)13-6)3-11-16-7(19)2-5-8(20)14-10(22)17-15-5/h1,3H,2H2,(H,16,19)(H2,12,13,18,21)(H2,14,17,20,22) |
| InChIK | BQMCIRVGTJAVQO-UHFFFAOYSA-N |
| TotalMolweight | 307.225 |
| Molweight | 307.225 |
| MonoisotopicMass | 307.066518 |
| CLogP | -2.6304 |
| CLogS | -2.637 |
| H Acceptors | 12 |
| H Donors | 5 |
| TotalSurfaceArea | 218.75 |
| Relative PSA | 0.66523 |
| PolarSurfaceArea | 170.22 |
| Druglikeness | 5.9471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 1 |
| Amides | 3 |
| StereoCon |
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1 - N-[(Z)-(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide | 2 - N-[(Z)-(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide