diazanium;nitroxyl anion;pentachlororuthenium(2-)

H8Cl5N3ORu- — CID 118856330

IUPACdiazanium;nitroxyl anion;pentachlororuthenium(2-)
SMILESCl[Ru-2](Cl)(Cl)(Cl)Cl.[N-]=O.[NH4+].[NH4+]
InChIInChI=1S/5ClH.NO.2H3N.Ru/c;;;;;1-2;;;/h5*1H;;2*1H3;/q;;;;;-1;;;+3/p-3
InChIKeyXROHCCAKRNDLGN-UHFFFAOYSA-K
MW344.42 g/mol
LogP4.52
Rot. Bonds

About diazanium;nitroxyl anion;pentachlororuthenium(2-)

diazanium;nitroxyl anion;pentachlororuthenium(2-) (PubChem CID 118856330) has the molecular formula H8Cl5N3ORu- and a molecular weight of 344.42 g/mol. Its IUPAC name is diazanium;nitroxyl anion;pentachlororuthenium(2-).

Molecular Properties

Compound Namediazanium;nitroxyl anion;pentachlororuthenium(2-)
PubChem CID118856330
Molecular FormulaH8Cl5N3ORu-
Molecular Weight344.42 g/mol
Exact Mass342.82
IUPAC Namediazanium;nitroxyl anion;pentachlororuthenium(2-)
SMILESCl[Ru-2](Cl)(Cl)(Cl)Cl.[N-]=O.[NH4+].[NH4+]
InChIInChI=1S/5ClH.NO.2H3N.Ru/c;;;;;1-2;;;/h5*1H;;2*1H3;/q;;;;;-1;;;+3/p-3
InChIKeyXROHCCAKRNDLGN-UHFFFAOYSA-K
XLogP4.52
TPSA112.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diazanium;nitroxyl anion;pentachlororuthenium(2-)?
The IUPAC name of diazanium;nitroxyl anion;pentachlororuthenium(2-) (CID 118856330) is diazanium;nitroxyl anion;pentachlororuthenium(2-).
What is the SMILES notation for diazanium;nitroxyl anion;pentachlororuthenium(2-)?
The canonical SMILES for diazanium;nitroxyl anion;pentachlororuthenium(2-) is Cl[Ru-2](Cl)(Cl)(Cl)Cl.[N-]=O.[NH4+].[NH4+].
What is the InChIKey of diazanium;nitroxyl anion;pentachlororuthenium(2-)?
The InChIKey is XROHCCAKRNDLGN-UHFFFAOYSA-K. The full InChI is InChI=1S/5ClH.NO.2H3N.Ru/c;;;;;1-2;;;/h5*1H;;2*1H3;/q;;;;;-1;;;+3/p-3.
What are the key properties of diazanium;nitroxyl anion;pentachlororuthenium(2-)?
diazanium;nitroxyl anion;pentachlororuthenium(2-) has a molecular weight of 344.42 g/mol, XLogP of 4.52, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;nitroxyl anion;pentachlororuthenium(2-) is sourced from PubChem (CID 118856330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).