carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)

C7H19N3Zr — CID 171766717

IUPACcarbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)
SMILESC[N-]C.C[N-]CC[N-]C.[CH3-].[Zr+4]
InChIInChI=1S/C4H10N2.C2H6N.CH3.Zr/c1-5-3-4-6-2;1-3-2;;/h3-4H2,1-2H3;1-2H3;1H3;/q-2;2*-1;+4
InChIKeyVTHFUDNVILDGPI-UHFFFAOYSA-N
MW236.47 g/mol
LogP2.06
Rot. Bonds3

About carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)

carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+) (PubChem CID 171766717) has the molecular formula C7H19N3Zr and a molecular weight of 236.47 g/mol. Its IUPAC name is carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+).

Molecular Properties

Compound Namecarbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)
PubChem CID171766717
Molecular FormulaC7H19N3Zr
Molecular Weight236.47 g/mol
Exact Mass235.06
IUPAC Namecarbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)
SMILESC[N-]C.C[N-]CC[N-]C.[CH3-].[Zr+4]
InChIInChI=1S/C4H10N2.C2H6N.CH3.Zr/c1-5-3-4-6-2;1-3-2;;/h3-4H2,1-2H3;1-2H3;1H3;/q-2;2*-1;+4
InChIKeyVTHFUDNVILDGPI-UHFFFAOYSA-N
XLogP2.06
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)?
The IUPAC name of carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+) (CID 171766717) is carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+).
What is the SMILES notation for carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)?
The canonical SMILES for carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+) is C[N-]C.C[N-]CC[N-]C.[CH3-].[Zr+4].
What is the InChIKey of carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)?
The InChIKey is VTHFUDNVILDGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H6N.CH3.Zr/c1-5-3-4-6-2;1-3-2;;/h3-4H2,1-2H3;1-2H3;1H3;/q-2;2*-1;+4.
What are the key properties of carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)?
carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+) has a molecular weight of 236.47 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+) is sourced from PubChem (CID 171766717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).