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

C24H18N12Ru — CID 117065413

IUPACtris(2-pyrazin-2-ylpyrazine);ruthenium
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;
InChIKeyVEEMVPAUPIJPLA-UHFFFAOYSA-N
MW575.56 g/mol
LogP2.80
Rot. Bonds3

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

tris(2-pyrazin-2-ylpyrazine);ruthenium (PubChem CID 117065413) has the molecular formula C24H18N12Ru and a molecular weight of 575.56 g/mol. Its IUPAC name is tris(2-pyrazin-2-ylpyrazine);ruthenium.

Molecular Properties

Compound Nametris(2-pyrazin-2-ylpyrazine);ruthenium
PubChem CID117065413
Molecular FormulaC24H18N12Ru
Molecular Weight575.56 g/mol
Exact Mass576.08
IUPAC Nametris(2-pyrazin-2-ylpyrazine);ruthenium
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;
InChIKeyVEEMVPAUPIJPLA-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?
The IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium (CID 117065413) is tris(2-pyrazin-2-ylpyrazine);ruthenium.
What is the SMILES notation for tris(2-pyrazin-2-ylpyrazine);ruthenium?
The canonical SMILES for tris(2-pyrazin-2-ylpyrazine);ruthenium is [Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of tris(2-pyrazin-2-ylpyrazine);ruthenium?
The InChIKey is VEEMVPAUPIJPLA-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;.
What are the key properties of tris(2-pyrazin-2-ylpyrazine);ruthenium?
tris(2-pyrazin-2-ylpyrazine);ruthenium 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 is sourced from PubChem (CID 117065413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).