1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
Formula:C18H13N9O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide |
| MolecularFormula | C18H13N9O4 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cnccc2)=O)c1-c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H13N9O4/c19-16-17(25-31-24-16)27-15(11-3-4-12-13(6-11)30-9-29-12)14(22-26-27)18(28)23-21-8-10-2-1-5-20-7-10/h1-8H,9H2,(H2,19,24)(H,23,28) |
| InChIK | SVZOTBGXMPLHJD-UHFFFAOYSA-N |
| TotalMolweight | 419.36 |
| Molweight | 419.36 |
| MonoisotopicMass | 419.109051 |
| CLogP | 2.5561 |
| CLogS | -3.122 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 307.98 |
| Relative PSA | 0.47766 |
| PolarSurfaceArea | 168.46 |
| Druglikeness | 1.8775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 6 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
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