1-benzyl-N-[(Z)-benzylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C19H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-N-[(Z)-benzylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | 1-benzyl-N-[(Z)-benzylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C19H16N6 |
| Smiles | C(c1ccccc1)n1ncc2c1ncnc2N/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H16N6/c1-3-7-15(8-4-1)11-22-24-18-17-12-23-25(19(17)21-14-20-18)13-16-9-5-2-6-10-16/h1-12,14H,13H2,(H,20,21,24) |
| InChIK | LPJMHNNPRDCNIE-UHFFFAOYSA-N |
| TotalMolweight | 328.378 |
| Molweight | 328.378 |
| MonoisotopicMass | 328.143644 |
| CLogP | 4.6487 |
| CLogS | -4.573 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.84 |
| Relative PSA | 0.23874 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 4.3761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-benzyl-N-[(Z)-benzylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine | 2 - 1-benzyl-N-[(Z)-benzylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
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