N-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C14H10N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C14H10N6S |
| Smiles | C(c1cccs1)=N\Nc(c1c2cccc1)nn1c2nnc1 |
| InChI | InChI=1S/C14H10N6S/c1-2-6-12-11(5-1)13(19-20-9-16-18-14(12)20)17-15-8-10-4-3-7-21-10/h1-9H,(H,17,19) |
| InChIK | RTYZYUQJZRSGQN-UHFFFAOYSA-N |
| TotalMolweight | 294.341 |
| Molweight | 294.341 |
| MonoisotopicMass | 294.068764 |
| CLogP | 3.7657 |
| CLogS | -5.247 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 221.31 |
| Relative PSA | 0.38042 |
| PolarSurfaceArea | 95.71 |
| Druglikeness | 5.7376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
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