3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohexylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
Formula:C17H25N9O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohexylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
| MolName | 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohexylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide |
| MolecularFormula | C17H25N9O2 |
| Smiles | Nc1nonc1-n1nnc(CN2CCCC2)c1C(N/N=C\C1CCCCC1)=O |
| InChI | InChI=1S/C17H25N9O2/c18-15-16(23-28-22-15)26-14(13(20-24-26)11-25-8-4-5-9-25)17(27)21-19-10-12-6-2-1-3-7-12/h10,12H,1-9,11H2,(H2,18,22)(H,21,27) |
| InChIK | LFDANDYWKWXUGP-UHFFFAOYSA-N |
| TotalMolweight | 387.446 |
| Molweight | 387.446 |
| MonoisotopicMass | 387.213121 |
| CLogP | 1.7527 |
| CLogS | -1.73 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 302.84 |
| Relative PSA | 0.39523 |
| PolarSurfaceArea | 140.35 |
| Druglikeness | -0.6088 |
| 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 | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohexylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide | 2 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-cyclohexylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off