azonous acid;tetrakis(2-methyl-1H-imidazole);nickel

C16H27N9NiO2 — CID 5255487

IUPACazonous acid;tetrakis(2-methyl-1H-imidazole);nickel
SMILESCc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncc[nH]1.ONO.[Ni]
InChIInChI=1S/4C4H6N2.H3NO2.Ni/c4*1-4-5-2-3-6-4;2-1-3;/h4*2-3H,1H3,(H,5,6);1-3H;
InChIKeyCFEGMZGKGOHREM-UHFFFAOYSA-N
MW436.15 g/mol
LogP2.22
Rot. Bonds

About azonous acid;tetrakis(2-methyl-1H-imidazole);nickel

azonous acid;tetrakis(2-methyl-1H-imidazole);nickel (PubChem CID 5255487) has the molecular formula C16H27N9NiO2 and a molecular weight of 436.15 g/mol. Its IUPAC name is azonous acid;tetrakis(2-methyl-1H-imidazole);nickel.

Molecular Properties

Compound Nameazonous acid;tetrakis(2-methyl-1H-imidazole);nickel
PubChem CID5255487
Molecular FormulaC16H27N9NiO2
Molecular Weight436.15 g/mol
Exact Mass435.16
IUPAC Nameazonous acid;tetrakis(2-methyl-1H-imidazole);nickel
SMILESCc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncc[nH]1.ONO.[Ni]
InChIInChI=1S/4C4H6N2.H3NO2.Ni/c4*1-4-5-2-3-6-4;2-1-3;/h4*2-3H,1H3,(H,5,6);1-3H;
InChIKeyCFEGMZGKGOHREM-UHFFFAOYSA-N
XLogP2.22
TPSA167.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.15
LogP ≤ 52.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azonous acid;tetrakis(2-methyl-1H-imidazole);nickel?
The IUPAC name of azonous acid;tetrakis(2-methyl-1H-imidazole);nickel (CID 5255487) is azonous acid;tetrakis(2-methyl-1H-imidazole);nickel.
What is the SMILES notation for azonous acid;tetrakis(2-methyl-1H-imidazole);nickel?
The canonical SMILES for azonous acid;tetrakis(2-methyl-1H-imidazole);nickel is Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncc[nH]1.Cc1ncc[nH]1.ONO.[Ni].
What is the InChIKey of azonous acid;tetrakis(2-methyl-1H-imidazole);nickel?
The InChIKey is CFEGMZGKGOHREM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.H3NO2.Ni/c4*1-4-5-2-3-6-4;2-1-3;/h4*2-3H,1H3,(H,5,6);1-3H;.
What are the key properties of azonous acid;tetrakis(2-methyl-1H-imidazole);nickel?
azonous acid;tetrakis(2-methyl-1H-imidazole);nickel has a molecular weight of 436.15 g/mol, XLogP of 2.22, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azonous acid;tetrakis(2-methyl-1H-imidazole);nickel is sourced from PubChem (CID 5255487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).