1,2-dihydropyridazine-3,6-dione;nickel

C4H4N2NiO2 — CID 54600507

IUPAC1,2-dihydropyridazine-3,6-dione;nickel
SMILESO=c1ccc(=O)[nH][nH]1.[Ni]
InChIInChI=1S/C4H4N2O2.Ni/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);
InChIKeyPMBKGLCLRYDCAZ-UHFFFAOYSA-N
MW170.78 g/mol
LogP-0.94
Rot. Bonds

About 1,2-dihydropyridazine-3,6-dione;nickel

1,2-dihydropyridazine-3,6-dione;nickel (PubChem CID 54600507) has the molecular formula C4H4N2NiO2 and a molecular weight of 170.78 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,6-dione;nickel.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,6-dione;nickel
PubChem CID54600507
Molecular FormulaC4H4N2NiO2
Molecular Weight170.78 g/mol
Exact Mass169.96
IUPAC Name1,2-dihydropyridazine-3,6-dione;nickel
SMILESO=c1ccc(=O)[nH][nH]1.[Ni]
InChIInChI=1S/C4H4N2O2.Ni/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);
InChIKeyPMBKGLCLRYDCAZ-UHFFFAOYSA-N
XLogP-0.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.78
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,6-dione;nickel?
The IUPAC name of 1,2-dihydropyridazine-3,6-dione;nickel (CID 54600507) is 1,2-dihydropyridazine-3,6-dione;nickel.
What is the SMILES notation for 1,2-dihydropyridazine-3,6-dione;nickel?
The canonical SMILES for 1,2-dihydropyridazine-3,6-dione;nickel is O=c1ccc(=O)[nH][nH]1.[Ni].
What is the InChIKey of 1,2-dihydropyridazine-3,6-dione;nickel?
The InChIKey is PMBKGLCLRYDCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.Ni/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);.
What are the key properties of 1,2-dihydropyridazine-3,6-dione;nickel?
1,2-dihydropyridazine-3,6-dione;nickel has a molecular weight of 170.78 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 1,2-dihydropyridazine-3,6-dione;nickel is sourced from PubChem (CID 54600507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).