6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
Formula:C10H9N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one |
| MolecularFormula | C10H9N5O |
| Smiles | O=C1N=CC=C(N/N=C\c2ccncc2)N1 |
| InChI | InChI=1S/C10H9N5O/c16-10-12-6-3-9(14-10)15-13-7-8-1-4-11-5-2-8/h1-7H,(H2,12,14,15,16) |
| InChIK | PQTGOSRFYUIMID-UHFFFAOYSA-N |
| TotalMolweight | 215.215 |
| Molweight | 215.215 |
| MonoisotopicMass | 215.08071 |
| CLogP | 0.8871 |
| CLogS | -3.837 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 173.42 |
| Relative PSA | 0.40336 |
| PolarSurfaceArea | 78.74 |
| Druglikeness | 2.9957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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