2-(7-oxo-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C19H15N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(7-oxo-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(7-oxo-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C19H15N7O2 |
| Smiles | O=C(CN(c1ncnn11)C(c2ccccc2)=CC1=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H15N7O2/c27-17(24-22-11-14-5-4-8-20-10-14)12-25-16(15-6-2-1-3-7-15)9-18(28)26-19(25)21-13-23-26/h1-11,13H,12H2,(H,24,27) |
| InChIK | CJOMHNOHCIYNKV-UHFFFAOYSA-N |
| TotalMolweight | 373.375 |
| Molweight | 373.375 |
| MonoisotopicMass | 373.128723 |
| CLogP | 2.1369 |
| CLogS | -3.985 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 285.25 |
| Relative PSA | 0.32386 |
| PolarSurfaceArea | 105.37 |
| Druglikeness | 6.533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-(7-oxo-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(7-oxo-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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