tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate

C26H32N10NiO2 — CID 139084189

IUPACtetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate
SMILESCc1cncc(C)n1.Cc1cncc(C)n1.Cc1cncc(C)n1.Cc1cncc(C)n1.N#C[O-].N#C[O-].[Ni+2]
InChIInChI=1S/4C6H8N2.2CHNO.Ni/c4*1-5-3-7-4-6(2)8-5;2*2-1-3;/h4*3-4H,1-2H3;2*3H;/q;;;;;;+2/p-2
InChIKeyCLNYVKZCKZKASB-UHFFFAOYSA-L
MW575.30 g/mol
LogP2.03
Rot. Bonds

About tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate

tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate (PubChem CID 139084189) has the molecular formula C26H32N10NiO2 and a molecular weight of 575.30 g/mol. Its IUPAC name is tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate.

Molecular Properties

Compound Nametetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate
PubChem CID139084189
Molecular FormulaC26H32N10NiO2
Molecular Weight575.30 g/mol
Exact Mass574.21
IUPAC Nametetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate
SMILESCc1cncc(C)n1.Cc1cncc(C)n1.Cc1cncc(C)n1.Cc1cncc(C)n1.N#C[O-].N#C[O-].[Ni+2]
InChIInChI=1S/4C6H8N2.2CHNO.Ni/c4*1-5-3-7-4-6(2)8-5;2*2-1-3;/h4*3-4H,1-2H3;2*3H;/q;;;;;;+2/p-2
InChIKeyCLNYVKZCKZKASB-UHFFFAOYSA-L
XLogP2.03
TPSA196.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate?
The IUPAC name of tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate (CID 139084189) is tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate.
What is the SMILES notation for tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate?
The canonical SMILES for tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate is Cc1cncc(C)n1.Cc1cncc(C)n1.Cc1cncc(C)n1.Cc1cncc(C)n1.N#C[O-].N#C[O-].[Ni+2].
What is the InChIKey of tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate?
The InChIKey is CLNYVKZCKZKASB-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6H8N2.2CHNO.Ni/c4*1-5-3-7-4-6(2)8-5;2*2-1-3;/h4*3-4H,1-2H3;2*3H;/q;;;;;;+2/p-2.
What are the key properties of tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate?
tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate has a molecular weight of 575.30 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,6-dimethylpyrazine);nickel(2+);dicyanate is sourced from PubChem (CID 139084189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).