| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C10H10N6O |
| Smiles | O=C(Cn1ncnc1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C10H10N6O/c17-10(6-16-8-11-7-14-16)15-13-5-9-3-1-2-4-12-9/h1-5,7-8H,6H2,(H,15,17) |
| InChIK | MUKQHFDFAHZTOV-UHFFFAOYSA-N |
| TotalMolweight | 230.23 |
| Molweight | 230.23 |
| MonoisotopicMass | 230.091609 |
| CLogP | -0.3121 |
| CLogS | -1.561 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 186.23 |
| Relative PSA | 0.40697 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 6.4859 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide | 2 - N-[(Z)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide