N'-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide
Formula:C6H9N7O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide is a drug-like molecule.
| MolName | N'-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide |
| MolecularFormula | C6H9N7O2 |
| Smiles | N/C(/Cn1ncnc1)=N/NC(C(N)=O)=O |
| InChI | InChI=1S/C6H9N7O2/c7-4(1-13-3-9-2-10-13)11-12-6(15)5(8)14/h2-3H,1H2,(H2,7,11)(H2,8,14)(H,12,15) |
| InChIK | JCPSSMPGQJNCKC-UHFFFAOYSA-N |
| TotalMolweight | 211.184 |
| Molweight | 211.184 |
| MonoisotopicMass | 211.081773 |
| CLogP | -3.3291 |
| CLogS | -0.478 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 160.71 |
| Relative PSA | 0.67451 |
| PolarSurfaceArea | 141.28 |
| Druglikeness | 3.4517 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N'-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide | 2 - N'-[(E)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]oxamide
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