tris(acetonitrile);zirconium

C6H9N3Zr — CID 159931297

IUPACtris(acetonitrile);zirconium
SMILESCC#N.CC#N.CC#N.[Zr]
InChIInChI=1S/3C2H3N.Zr/c3*1-2-3;/h3*1H3;
InChIKeyNZRBMKDLDNJEGI-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds

About tris(acetonitrile);zirconium

tris(acetonitrile);zirconium (PubChem CID 159931297) has the molecular formula C6H9N3Zr and a molecular weight of 214.38 g/mol. Its IUPAC name is tris(acetonitrile);zirconium.

Molecular Properties

Compound Nametris(acetonitrile);zirconium
PubChem CID159931297
Molecular FormulaC6H9N3Zr
Molecular Weight214.38 g/mol
Exact Mass212.98
IUPAC Nametris(acetonitrile);zirconium
SMILESCC#N.CC#N.CC#N.[Zr]
InChIInChI=1S/3C2H3N.Zr/c3*1-2-3;/h3*1H3;
InChIKeyNZRBMKDLDNJEGI-UHFFFAOYSA-N
XLogP1.59
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);zirconium?
The IUPAC name of tris(acetonitrile);zirconium (CID 159931297) is tris(acetonitrile);zirconium.
What is the SMILES notation for tris(acetonitrile);zirconium?
The canonical SMILES for tris(acetonitrile);zirconium is CC#N.CC#N.CC#N.[Zr].
What is the InChIKey of tris(acetonitrile);zirconium?
The InChIKey is NZRBMKDLDNJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H3N.Zr/c3*1-2-3;/h3*1H3;.
What are the key properties of tris(acetonitrile);zirconium?
tris(acetonitrile);zirconium has a molecular weight of 214.38 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(acetonitrile);zirconium is sourced from PubChem (CID 159931297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).