N-[(Z)-furan-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Formula:C9H9N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-furan-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C9H9N5O2 |
| Smiles | O=C(Cn1ncnc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C9H9N5O2/c15-9(5-14-7-10-6-12-14)13-11-4-8-2-1-3-16-8/h1-4,6-7H,5H2,(H,13,15) |
| InChIK | GZYCSNSBTVBWNL-UHFFFAOYSA-N |
| TotalMolweight | 219.203 |
| Molweight | 219.203 |
| MonoisotopicMass | 219.075625 |
| CLogP | -0.1765 |
| CLogS | -2.014 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 177.16 |
| Relative PSA | 0.44553 |
| PolarSurfaceArea | 85.31 |
| Druglikeness | 6.1444 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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