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

C28H25Cl4N8Ru+ — CID 157410325

IUPACtris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
SMILESCl[Ru](Cl)(Cl)Cl.c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/4C7H6N2.4ClH.Ru/c4*1-2-4-7-6(3-1)5-8-9-7;;;;;/h4*1-5H,(H,8,9);4*1H;/q;;;;;;;;+4/p-3
InChIKeyBOEZTZFMVQHOBH-UHFFFAOYSA-K
MW716.45 g/mol
LogP8.43
Rot. Bonds

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

tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium (PubChem CID 157410325) has the molecular formula C28H25Cl4N8Ru+ and a molecular weight of 716.45 g/mol. Its IUPAC name is tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium.

Molecular Properties

Compound Nametris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
PubChem CID157410325
Molecular FormulaC28H25Cl4N8Ru+
Molecular Weight716.45 g/mol
Exact Mass715.00
IUPAC Nametris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium
SMILESCl[Ru](Cl)(Cl)Cl.c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/4C7H6N2.4ClH.Ru/c4*1-2-4-7-6(3-1)5-8-9-7;;;;;/h4*1-5H,(H,8,9);4*1H;/q;;;;;;;;+4/p-3
InChIKeyBOEZTZFMVQHOBH-UHFFFAOYSA-K
XLogP8.43
TPSA115.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.45
LogP ≤ 58.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

It-139
CID 25134754
KP-1019
CID 133083029
RuCl4(1H-indazole)2
CID 9806062
tris(1H-indazole);tetrachlororuthenium;hydrate
CID 129643357
sodium;1H-indazole;ruthenium(3+);tetrachloride
CID 10481153
dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide
CID 16684389
bis(1H-indazole);tetrachlororuthenium
CID 59281622
Tri(indazol-1-yl)borane
CID 91134491
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065503
CID 139065503
CID 139065798
CID 139065798
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170

Frequently Asked Questions

What is the IUPAC name of tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
The IUPAC name of tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium (CID 157410325) is tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium.
What is the SMILES notation for tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
The canonical SMILES for tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium is Cl[Ru](Cl)(Cl)Cl.c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
The InChIKey is BOEZTZFMVQHOBH-UHFFFAOYSA-K. The full InChI is InChI=1S/4C7H6N2.4ClH.Ru/c4*1-2-4-7-6(3-1)5-8-9-7;;;;;/h4*1-5H,(H,8,9);4*1H;/q;;;;;;;;+4/p-3.
What are the key properties of tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium?
tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium has a molecular weight of 716.45 g/mol, XLogP of 8.43, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-indazole);1H-indazol-2-ium;tetrachlororuthenium is sourced from PubChem (CID 157410325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).