About zinc 1,2-dihydropyridazine-3,6-dione
zinc 1,2-dihydropyridazine-3,6-dione (PubChem CID 54607216) has the molecular formula C4H4N2O2Zn+2
and a molecular weight of 177.48 g/mol. Its IUPAC name is zinc 1,2-dihydropyridazine-3,6-dione.
Molecular Properties
| Compound Name | zinc 1,2-dihydropyridazine-3,6-dione |
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| PubChem CID | 54607216 |
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| Molecular Formula | C4H4N2O2Zn+2 |
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| Molecular Weight | 177.48 g/mol |
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| Exact Mass | 175.96 |
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| IUPAC Name | zinc 1,2-dihydropyridazine-3,6-dione |
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| SMILES | O=c1ccc(=O)[nH][nH]1.[Zn+2] |
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| InChI | InChI=1S/C4H4N2O2.Zn/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);/q;+2 |
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| InChIKey | KRDJDPNWMXXZOV-UHFFFAOYSA-N |
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| XLogP | -0.94 |
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| TPSA | 65.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 177.48 |
| LogP ≤ 5 | -0.94 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of zinc 1,2-dihydropyridazine-3,6-dione?
The IUPAC name of zinc 1,2-dihydropyridazine-3,6-dione (CID 54607216) is zinc 1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for zinc 1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for zinc 1,2-dihydropyridazine-3,6-dione is O=c1ccc(=O)[nH][nH]1.[Zn+2].
What is the InChIKey of zinc 1,2-dihydropyridazine-3,6-dione?
The InChIKey is KRDJDPNWMXXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.Zn/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);/q;+2.
What are the key properties of zinc 1,2-dihydropyridazine-3,6-dione?
zinc 1,2-dihydropyridazine-3,6-dione has a molecular weight of 177.48 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 54607216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).