N-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Formula:C14H15N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide |
| MolecularFormula | C14H15N5O |
| Smiles | O=C(c1n[nH]c2c1CCCC2)N/N=C/c1cnccc1 |
| InChI | InChI=1S/C14H15N5O/c20-14(19-16-9-10-4-3-7-15-8-10)13-11-5-1-2-6-12(11)17-18-13/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20) |
| InChIK | LTGOZTIYPADWPG-UHFFFAOYSA-N |
| TotalMolweight | 269.307 |
| Molweight | 269.307 |
| MonoisotopicMass | 269.12766 |
| CLogP | 1.3591 |
| CLogS | -2.639 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 215.62 |
| Relative PSA | 0.33364 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 1.1546 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | 2 - N-[(E)-pyridin-3-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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