bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate

C18H12N10O2Ru — CID 173490135

IUPACbis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate
SMILES[N-]=C=O.[N-]=C=O.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/2C8H6N4.2CNO.Ru/c2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*2-1-3;/h2*1-6H;;;/q;;2*-1;+2
InChIKeyYZRZMXOHENJMPS-UHFFFAOYSA-N
MW501.43 g/mol
LogP1.65
Rot. Bonds2

About bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate

bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate (PubChem CID 173490135) has the molecular formula C18H12N10O2Ru and a molecular weight of 501.43 g/mol. Its IUPAC name is bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate.

Molecular Properties

Compound Namebis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate
PubChem CID173490135
Molecular FormulaC18H12N10O2Ru
Molecular Weight501.43 g/mol
Exact Mass502.02
IUPAC Namebis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate
SMILES[N-]=C=O.[N-]=C=O.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/2C8H6N4.2CNO.Ru/c2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*2-1-3;/h2*1-6H;;;/q;;2*-1;+2
InChIKeyYZRZMXOHENJMPS-UHFFFAOYSA-N
XLogP1.65
TPSA181.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 15376884
CID 15376884
CID 153668
CID 153668
CID 138967859
CID 138967859
CID 157351
CID 157351
CID 58816815
CID 58816815
CID 71124248
CID 71124248
CID 135084578
CID 135084578
CID 146159813
CID 146159813
CID 12192750
CID 12192750
CID 71479114
CID 71479114
CID 102047080
CID 102047080
CID 139034335
CID 139034335

Frequently Asked Questions

What is the IUPAC name of bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate?
The IUPAC name of bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate (CID 173490135) is bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate.
What is the SMILES notation for bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate?
The canonical SMILES for bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate is [N-]=C=O.[N-]=C=O.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate?
The InChIKey is YZRZMXOHENJMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N4.2CNO.Ru/c2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*2-1-3;/h2*1-6H;;;/q;;2*-1;+2.
What are the key properties of bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate?
bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate has a molecular weight of 501.43 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);diisocyanate is sourced from PubChem (CID 173490135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).