carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)

C12H31N3Zr — CID 162293218

IUPACcarbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)
SMILESC1CCCC1.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4]
InChIInChI=1S/C5H10.3C2H6N.CH3.Zr/c1-2-4-5-3-1;3*1-3-2;;/h1-5H2;3*1-2H3;1H3;/q;4*-1;+4
InChIKeyMFAQQKQGPIPUFH-UHFFFAOYSA-N
MW308.62 g/mol
LogP4.26
Rot. Bonds

About carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)

carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+) (PubChem CID 162293218) has the molecular formula C12H31N3Zr and a molecular weight of 308.62 g/mol. Its IUPAC name is carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+).

Molecular Properties

Compound Namecarbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)
PubChem CID162293218
Molecular FormulaC12H31N3Zr
Molecular Weight308.62 g/mol
Exact Mass307.16
IUPAC Namecarbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)
SMILESC1CCCC1.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4]
InChIInChI=1S/C5H10.3C2H6N.CH3.Zr/c1-2-4-5-3-1;3*1-3-2;;/h1-5H2;3*1-2H3;1H3;/q;4*-1;+4
InChIKeyMFAQQKQGPIPUFH-UHFFFAOYSA-N
XLogP4.26
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.62
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)?
The IUPAC name of carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+) (CID 162293218) is carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+).
What is the SMILES notation for carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)?
The canonical SMILES for carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+) is C1CCCC1.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4].
What is the InChIKey of carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)?
The InChIKey is MFAQQKQGPIPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.3C2H6N.CH3.Zr/c1-2-4-5-3-1;3*1-3-2;;/h1-5H2;3*1-2H3;1H3;/q;4*-1;+4.
What are the key properties of carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)?
carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+) has a molecular weight of 308.62 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+) is sourced from PubChem (CID 162293218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).