1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
Formula:C17H19N9O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide |
| MolecularFormula | C17H19N9O4 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cc(O)ccc2)=O)c1CN1CCOCC1 |
| InChI | InChI=1S/C17H19N9O4/c18-15-16(23-30-22-15)26-13(10-25-4-6-29-7-5-25)14(20-24-26)17(28)21-19-9-11-2-1-3-12(27)8-11/h1-3,8-9,27H,4-7,10H2,(H2,18,22)(H,21,28) |
| InChIK | WPULDKYASRDLDV-UHFFFAOYSA-N |
| TotalMolweight | 413.397 |
| Molweight | 413.397 |
| MonoisotopicMass | 413.156001 |
| CLogP | 0.9956 |
| CLogS | -0.737 |
| H Acceptors | 13 |
| H Donors | 3 |
| TotalSurfaceArea | 311.15 |
| Relative PSA | 0.45891 |
| PolarSurfaceArea | 169.81 |
| Druglikeness | 2.4139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
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