1H-imidazole;nickel(2+);dinitrate

C3H4N4NiO6 — CID 158587343

IUPAC1H-imidazole;nickel(2+);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2NO3.Ni/c1-2-5-3-4-1;2*2-1(3)4;/h1-3H,(H,4,5);;;/q;2*-1;+2
InChIKeyHTZLHRBXZCQALI-UHFFFAOYSA-N
MW250.78 g/mol
LogP-0.07
Rot. Bonds

About 1H-imidazole;nickel(2+);dinitrate

1H-imidazole;nickel(2+);dinitrate (PubChem CID 158587343) has the molecular formula C3H4N4NiO6 and a molecular weight of 250.78 g/mol. Its IUPAC name is 1H-imidazole;nickel(2+);dinitrate.

Molecular Properties

Compound Name1H-imidazole;nickel(2+);dinitrate
PubChem CID158587343
Molecular FormulaC3H4N4NiO6
Molecular Weight250.78 g/mol
Exact Mass249.95
IUPAC Name1H-imidazole;nickel(2+);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2NO3.Ni/c1-2-5-3-4-1;2*2-1(3)4;/h1-3H,(H,4,5);;;/q;2*-1;+2
InChIKeyHTZLHRBXZCQALI-UHFFFAOYSA-N
XLogP-0.07
TPSA161.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.78
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;nickel(2+);dinitrate?
The IUPAC name of 1H-imidazole;nickel(2+);dinitrate (CID 158587343) is 1H-imidazole;nickel(2+);dinitrate.
What is the SMILES notation for 1H-imidazole;nickel(2+);dinitrate?
The canonical SMILES for 1H-imidazole;nickel(2+);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;nickel(2+);dinitrate?
The InChIKey is HTZLHRBXZCQALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2NO3.Ni/c1-2-5-3-4-1;2*2-1(3)4;/h1-3H,(H,4,5);;;/q;2*-1;+2.
What are the key properties of 1H-imidazole;nickel(2+);dinitrate?
1H-imidazole;nickel(2+);dinitrate has a molecular weight of 250.78 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;nickel(2+);dinitrate is sourced from PubChem (CID 158587343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).