carbanide;ethenyldiazene;nickel(2+);dichloride

C4H10Cl2N2Ni-2 — CID 173176204

IUPACcarbanide;ethenyldiazene;nickel(2+);dichloride
SMILES[CH3-].[CH3-].[Cl-].[Cl-].[H]/N=N/C=C.[Ni+2]
InChIInChI=1S/C2H4N2.2CH3.2ClH.Ni/c1-2-4-3;;;;;/h2-3H,1H2;2*1H3;2*1H;/q;2*-1;;;+2/p-2/b4-3+;;;;;
InChIKeyHWCMUVOMNHTIJF-XIOYJQOGSA-L
MW215.74 g/mol
LogP-3.93
Rot. Bonds1

About carbanide;ethenyldiazene;nickel(2+);dichloride

carbanide;ethenyldiazene;nickel(2+);dichloride (PubChem CID 173176204) has the molecular formula C4H10Cl2N2Ni-2 and a molecular weight of 215.74 g/mol. Its IUPAC name is carbanide;ethenyldiazene;nickel(2+);dichloride.

Molecular Properties

Compound Namecarbanide;ethenyldiazene;nickel(2+);dichloride
PubChem CID173176204
Molecular FormulaC4H10Cl2N2Ni-2
Molecular Weight215.74 g/mol
Exact Mass213.96
IUPAC Namecarbanide;ethenyldiazene;nickel(2+);dichloride
SMILES[CH3-].[CH3-].[Cl-].[Cl-].[H]/N=N/C=C.[Ni+2]
InChIInChI=1S/C2H4N2.2CH3.2ClH.Ni/c1-2-4-3;;;;;/h2-3H,1H2;2*1H3;2*1H;/q;2*-1;;;+2/p-2/b4-3+;;;;;
InChIKeyHWCMUVOMNHTIJF-XIOYJQOGSA-L
XLogP-3.93
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.74
LogP ≤ 5-3.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethenyldiazene;nickel(2+);dichloride?
The IUPAC name of carbanide;ethenyldiazene;nickel(2+);dichloride (CID 173176204) is carbanide;ethenyldiazene;nickel(2+);dichloride.
What is the SMILES notation for carbanide;ethenyldiazene;nickel(2+);dichloride?
The canonical SMILES for carbanide;ethenyldiazene;nickel(2+);dichloride is [CH3-].[CH3-].[Cl-].[Cl-].[H]/N=N/C=C.[Ni+2].
What is the InChIKey of carbanide;ethenyldiazene;nickel(2+);dichloride?
The InChIKey is HWCMUVOMNHTIJF-XIOYJQOGSA-L. The full InChI is InChI=1S/C2H4N2.2CH3.2ClH.Ni/c1-2-4-3;;;;;/h2-3H,1H2;2*1H3;2*1H;/q;2*-1;;;+2/p-2/b4-3+;;;;;.
What are the key properties of carbanide;ethenyldiazene;nickel(2+);dichloride?
carbanide;ethenyldiazene;nickel(2+);dichloride has a molecular weight of 215.74 g/mol, XLogP of -3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethenyldiazene;nickel(2+);dichloride is sourced from PubChem (CID 173176204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).