tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride

C12H16ClN8Ru2+5 — CID 46186881

IUPACtetrakis(1H-pyrazole);bis(ruthenium(3+));chloride
SMILES[Cl-].[Ru+3].[Ru+3].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/4C3H4N2.ClH.2Ru/c4*1-2-4-5-3-1;;;/h4*1-3H,(H,4,5);1H;;/q;;;;;2*+3/p-1
InChIKeyVYHBICLKCPROGL-UHFFFAOYSA-M
MW509.91 g/mol
LogP-1.36
Rot. Bonds

About tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride

tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride (PubChem CID 46186881) has the molecular formula C12H16ClN8Ru2+5 and a molecular weight of 509.91 g/mol. Its IUPAC name is tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride.

Molecular Properties

Compound Nametetrakis(1H-pyrazole);bis(ruthenium(3+));chloride
PubChem CID46186881
Molecular FormulaC12H16ClN8Ru2+5
Molecular Weight509.91 g/mol
Exact Mass510.92
IUPAC Nametetrakis(1H-pyrazole);bis(ruthenium(3+));chloride
SMILES[Cl-].[Ru+3].[Ru+3].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/4C3H4N2.ClH.2Ru/c4*1-2-4-5-3-1;;;/h4*1-3H,(H,4,5);1H;;/q;;;;;2*+3/p-1
InChIKeyVYHBICLKCPROGL-UHFFFAOYSA-M
XLogP-1.36
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.91
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride?
The IUPAC name of tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride (CID 46186881) is tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride.
What is the SMILES notation for tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride?
The canonical SMILES for tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride is [Cl-].[Ru+3].[Ru+3].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.
What is the InChIKey of tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride?
The InChIKey is VYHBICLKCPROGL-UHFFFAOYSA-M. The full InChI is InChI=1S/4C3H4N2.ClH.2Ru/c4*1-2-4-5-3-1;;;/h4*1-3H,(H,4,5);1H;;/q;;;;;2*+3/p-1.
What are the key properties of tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride?
tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride has a molecular weight of 509.91 g/mol, XLogP of -1.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride is sourced from PubChem (CID 46186881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).