dichlororuthenium;tetrakis(propanenitrile)

C12H20Cl2N4Ru — CID 19690378

IUPACdichlororuthenium;tetrakis(propanenitrile)
SMILESCCC#N.CCC#N.CCC#N.CCC#N.Cl[Ru]Cl
InChIInChI=1S/4C3H5N.2ClH.Ru/c4*1-2-3-4;;;/h4*2H2,1H3;2*1H;/q;;;;;;+2/p-2
InChIKeyHTZXQLSMWNQFDI-UHFFFAOYSA-L
MW392.30 g/mol
LogP5.06
Rot. Bonds

About dichlororuthenium;tetrakis(propanenitrile)

dichlororuthenium;tetrakis(propanenitrile) (PubChem CID 19690378) has the molecular formula C12H20Cl2N4Ru and a molecular weight of 392.30 g/mol. Its IUPAC name is dichlororuthenium;tetrakis(propanenitrile).

Molecular Properties

Compound Namedichlororuthenium;tetrakis(propanenitrile)
PubChem CID19690378
Molecular FormulaC12H20Cl2N4Ru
Molecular Weight392.30 g/mol
Exact Mass392.01
IUPAC Namedichlororuthenium;tetrakis(propanenitrile)
SMILESCCC#N.CCC#N.CCC#N.CCC#N.Cl[Ru]Cl
InChIInChI=1S/4C3H5N.2ClH.Ru/c4*1-2-3-4;;;/h4*2H2,1H3;2*1H;/q;;;;;;+2/p-2
InChIKeyHTZXQLSMWNQFDI-UHFFFAOYSA-L
XLogP5.06
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-deuteriopropanenitrile
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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tetrakis(propanenitrile)?
The IUPAC name of dichlororuthenium;tetrakis(propanenitrile) (CID 19690378) is dichlororuthenium;tetrakis(propanenitrile).
What is the SMILES notation for dichlororuthenium;tetrakis(propanenitrile)?
The canonical SMILES for dichlororuthenium;tetrakis(propanenitrile) is CCC#N.CCC#N.CCC#N.CCC#N.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;tetrakis(propanenitrile)?
The InChIKey is HTZXQLSMWNQFDI-UHFFFAOYSA-L. The full InChI is InChI=1S/4C3H5N.2ClH.Ru/c4*1-2-3-4;;;/h4*2H2,1H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;tetrakis(propanenitrile)?
dichlororuthenium;tetrakis(propanenitrile) has a molecular weight of 392.30 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tetrakis(propanenitrile) is sourced from PubChem (CID 19690378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).