2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate

C9H6N5ORu+ — CID 71479114

IUPAC2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate
SMILES[N-]=C=O.[Ru+2].c1cnc(-c2cnccn2)cn1
InChIInChI=1S/C8H6N4.CNO.Ru/c1-3-11-7(5-9-1)8-6-10-2-4-12-8;2-1-3;/h1-6H;;/q;-1;+2
InChIKeyJXOOTKONMUOKFN-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.82
Rot. Bonds1

About 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate

2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate (PubChem CID 71479114) has the molecular formula C9H6N5ORu+ and a molecular weight of 301.25 g/mol. Its IUPAC name is 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate.

Molecular Properties

Compound Name2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate
PubChem CID71479114
Molecular FormulaC9H6N5ORu+
Molecular Weight301.25 g/mol
Exact Mass301.96
IUPAC Name2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate
SMILES[N-]=C=O.[Ru+2].c1cnc(-c2cnccn2)cn1
InChIInChI=1S/C8H6N4.CNO.Ru/c1-3-11-7(5-9-1)8-6-10-2-4-12-8;2-1-3;/h1-6H;;/q;-1;+2
InChIKeyJXOOTKONMUOKFN-UHFFFAOYSA-N
XLogP0.82
TPSA90.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate?
The IUPAC name of 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate (CID 71479114) is 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate.
What is the SMILES notation for 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate?
The canonical SMILES for 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate is [N-]=C=O.[Ru+2].c1cnc(-c2cnccn2)cn1.
What is the InChIKey of 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate?
The InChIKey is JXOOTKONMUOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4.CNO.Ru/c1-3-11-7(5-9-1)8-6-10-2-4-12-8;2-1-3;/h1-6H;;/q;-1;+2.
What are the key properties of 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate?
2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate has a molecular weight of 301.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylpyrazine;ruthenium(2+);isocyanate is sourced from PubChem (CID 71479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).