bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium

C21H19Cl4N6Ru+ — CID 86289346

IUPACbis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
SMILESCl[Ru](Cl)(Cl)Cl.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;;;;;;;+4/p-3
InChIKeyRFCAXSUVZZSVPM-UHFFFAOYSA-K
MW598.31 g/mol
LogP6.86
Rot. Bonds

About bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium

bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium (PubChem CID 86289346) 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;tetrachlororuthenium.

Molecular Properties

Compound Namebis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
PubChem CID86289346
Molecular FormulaC21H19Cl4N6Ru+
Molecular Weight598.31 g/mol
Exact Mass596.95
IUPAC Namebis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
SMILESCl[Ru](Cl)(Cl)Cl.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;;;;;;;+4/p-3
InChIKeyRFCAXSUVZZSVPM-UHFFFAOYSA-K
XLogP6.86
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.31
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
The IUPAC name of bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium (CID 86289346) is bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium.
What is the SMILES notation for bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
The canonical SMILES for bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium is Cl[Ru](Cl)(Cl)Cl.c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
The InChIKey is RFCAXSUVZZSVPM-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;;;;;;;+4/p-3.
What are the key properties of bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
bis(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium has a molecular weight of 598.31 g/mol, XLogP of 6.86, 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;tetrachlororuthenium is sourced from PubChem (CID 86289346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).