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

C24H20Cl2N12Ru — CID 146159813

IUPACtris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride
SMILESCl.Cl.[Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/3C8H6N4.2ClH.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;;;/h3*1-6H;2*1H;
InChIKeyBQWWCNJIHAQCRI-UHFFFAOYSA-N
MW648.48 g/mol
LogP3.64
Rot. Bonds3

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

tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride (PubChem CID 146159813) has the molecular formula C24H20Cl2N12Ru and a molecular weight of 648.48 g/mol. Its IUPAC name is tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride.

Molecular Properties

Compound Nametris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride
PubChem CID146159813
Molecular FormulaC24H20Cl2N12Ru
Molecular Weight648.48 g/mol
Exact Mass648.04
IUPAC Nametris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride
SMILESCl.Cl.[Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/3C8H6N4.2ClH.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;;;/h3*1-6H;2*1H;
InChIKeyBQWWCNJIHAQCRI-UHFFFAOYSA-N
XLogP3.64
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride?
The IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride (CID 146159813) is tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride.
What is the SMILES notation for tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride?
The canonical SMILES for tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride is Cl.Cl.[Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride?
The InChIKey is BQWWCNJIHAQCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6N4.2ClH.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;;;/h3*1-6H;2*1H;.
What are the key properties of tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride?
tris(2-pyrazin-2-ylpyrazine);ruthenium;dihydrochloride has a molecular weight of 648.48 g/mol, XLogP of 3.64, 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;dihydrochloride is sourced from PubChem (CID 146159813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).