1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
Formula:C16H19N10O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide |
| MolecularFormula | C16H19N10O3 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2ccncc2)=O)c1C[NH+]1CCOCC1 |
| InChI | InChI=1S/C16H18N10O3/c17-14-15(23-29-22-14)26-12(10-25-5-7-28-8-6-25)13(20-24-26)16(27)21-19-9-11-1-3-18-4-2-11/h1-4,9H,5-8,10H2,(H2,17,22)(H,21,27)/p+1 |
| InChIK | OBQCIMZBHXTXLK-UHFFFAOYSA-O |
| TotalMolweight | 399.394 |
| Molweight | 399.394 |
| MonoisotopicMass | 399.16416 |
| CLogP | -1.7693 |
| CLogS | -0.238 |
| H Acceptors | 13 |
| H Donors | 3 |
| TotalSurfaceArea | 317.6 |
| Relative PSA | 0.48709 |
| PolarSurfaceArea | 163.67 |
| Druglikeness | -0.11901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
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