tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)

C24H18N12Ru+ — CID 138986841

IUPACtris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
SMILES[Ru+].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/3C8H6N4.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h3*1-6H;/q;;;+1
InChIKeyUGUGYAYNJAOVKK-UHFFFAOYSA-N
MW575.56 g/mol
LogP2.80
Rot. Bonds3

About tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)

tris(2-pyrazin-2-ylpyrazine);ruthenium(1+) (PubChem CID 138986841) has the molecular formula C24H18N12Ru+ and a molecular weight of 575.56 g/mol. Its IUPAC name is tris(2-pyrazin-2-ylpyrazine);ruthenium(1+).

Molecular Properties

Compound Nametris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
PubChem CID138986841
Molecular FormulaC24H18N12Ru+
Molecular Weight575.56 g/mol
Exact Mass576.08
IUPAC Nametris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
SMILES[Ru+].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/3C8H6N4.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h3*1-6H;/q;;;+1
InChIKeyUGUGYAYNJAOVKK-UHFFFAOYSA-N
XLogP2.80
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.56
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)?
The IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium(1+) (CID 138986841) is tris(2-pyrazin-2-ylpyrazine);ruthenium(1+).
What is the SMILES notation for tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)?
The canonical SMILES for tris(2-pyrazin-2-ylpyrazine);ruthenium(1+) is [Ru+].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)?
The InChIKey is UGUGYAYNJAOVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6N4.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h3*1-6H;/q;;;+1.
What are the key properties of tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)?
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+) has a molecular weight of 575.56 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyrazin-2-ylpyrazine);ruthenium(1+) is sourced from PubChem (CID 138986841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).