3-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
Formula:C10H9N7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide |
| MolecularFormula | C10H9N7O3 |
| Smiles | Nc1n[nH]c(C(N/N=C\c2cccc([N+]([O-])=O)c2)=O)n1 |
| InChI | InChI=1S/C10H9N7O3/c11-10-13-8(14-16-10)9(18)15-12-5-6-2-1-3-7(4-6)17(19)20/h1-5H,(H,15,18)(H3,11,13,14,16) |
| InChIK | ARTRDZZFVIUXMX-UHFFFAOYSA-N |
| TotalMolweight | 275.227 |
| Molweight | 275.227 |
| MonoisotopicMass | 275.076688 |
| CLogP | -0.5388 |
| CLogS | -2.762 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 206.27 |
| Relative PSA | 0.57027 |
| PolarSurfaceArea | 154.87 |
| Druglikeness | 0.5755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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