3-(1,3,4-thiadiazol-2-ylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Formula:C7H4N8O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(1,3,4-thiadiazol-2-ylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is a drug-like molecule.
| MolName | 3-(1,3,4-thiadiazol-2-ylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione |
| MolecularFormula | C7H4N8O2S |
| Smiles | O=C(c1nnc(Nc2nncs2)nc1N1)NC1=O |
| InChI | InChI=1S/C7H4N8O2S/c16-4-2-3(10-6(17)11-4)9-5(14-13-2)12-7-15-8-1-18-7/h1H,(H3,9,10,11,12,14,15,16,17) |
| InChIK | ZSMADBLMOUENAY-UHFFFAOYSA-N |
| TotalMolweight | 264.229 |
| Molweight | 264.229 |
| MonoisotopicMass | 264.017792 |
| CLogP | -0.7846 |
| CLogS | -2.616 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 179.14 |
| Relative PSA | 0.75734 |
| PolarSurfaceArea | 162.92 |
| Druglikeness | 2.9326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 3-(1,3,4-thiadiazol-2-ylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione | 2 - 3-(1,3,4-thiadiazol-2-ylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
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