bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride

C21H19Cl4N6Ru — CID 133083029

IUPACbis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/3C7H6N2.4ClH.Ru/c3*1-2-4-7-6(3-1)5-8-9-7;;;;;/h3*1-5H,(H,8,9);4*1H;/q;;;;;;;+3/p-3
InChIKeyPJXASRBEMZORRI-UHFFFAOYSA-K
MW598.31 g/mol
LogP-7.88
Rot. Bonds

About bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride

bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride (PubChem CID 133083029) has the molecular formula C21H19Cl4N6Ru and a molecular weight of 598.31 g/mol. Its IUPAC name is bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride.

Molecular Properties

Compound Namebis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride
PubChem CID133083029
Molecular FormulaC21H19Cl4N6Ru
Molecular Weight598.31 g/mol
Exact Mass596.95
IUPAC Namebis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/3C7H6N2.4ClH.Ru/c3*1-2-4-7-6(3-1)5-8-9-7;;;;;/h3*1-5H,(H,8,9);4*1H;/q;;;;;;;+3/p-3
InChIKeyPJXASRBEMZORRI-UHFFFAOYSA-K
XLogP-7.88
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.31
LogP ≤ 5-7.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride?
The IUPAC name of bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride (CID 133083029) is bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride.
What is the SMILES notation for bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride?
The canonical SMILES for bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride?
The InChIKey is PJXASRBEMZORRI-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H6N2.4ClH.Ru/c3*1-2-4-7-6(3-1)5-8-9-7;;;;;/h3*1-5H,(H,8,9);4*1H;/q;;;;;;;+3/p-3.
What are the key properties of bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride?
bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride has a molecular weight of 598.31 g/mol, XLogP of -7.88, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride is sourced from PubChem (CID 133083029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).