2-(3-amino-4-cyano-1H-pyrazol-5-yl)-N'-hydroxyethanimidamide
Formula:C6H8N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-amino-4-cyano-1H-pyrazol-5-yl)-N'-hydroxyethanimidamide is a drug-like molecule.
| MolName | 2-(3-amino-4-cyano-1H-pyrazol-5-yl)-N'-hydroxyethanimidamide |
| MolecularFormula | C6H8N6O |
| Smiles | N/C(/Cc([nH]nc1N)c1C#N)=N/O |
| InChI | InChI=1S/C6H8N6O/c7-2-3-4(1-5(8)12-13)10-11-6(3)9/h13H,1H2,(H2,8,12)(H3,9,10,11) |
| InChIK | UMZZWELIOIMZLL-UHFFFAOYSA-N |
| TotalMolweight | 180.171 |
| Molweight | 180.171 |
| MonoisotopicMass | 180.075959 |
| CLogP | -1.1763 |
| CLogS | -2.016 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 143.42 |
| Relative PSA | 0.65312 |
| PolarSurfaceArea | 137.1 |
| Druglikeness | -2.8195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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