methanimidamide;nickel

CH4N2Ni — CID 161496739

IUPACmethanimidamide;nickel
SMILES[H]/N=C/N.[Ni]
InChIInChI=1S/CH4N2.Ni/c2-1-3;/h1H,(H3,2,3);
InChIKeyWGHRDJZPRJRPQG-UHFFFAOYSA-N
MW102.75 g/mol
LogP-0.45
Rot. Bonds

About methanimidamide;nickel

methanimidamide;nickel (PubChem CID 161496739) has the molecular formula CH4N2Ni and a molecular weight of 102.75 g/mol. Its IUPAC name is methanimidamide;nickel.

Molecular Properties

Compound Namemethanimidamide;nickel
PubChem CID161496739
Molecular FormulaCH4N2Ni
Molecular Weight102.75 g/mol
Exact Mass101.97
IUPAC Namemethanimidamide;nickel
SMILES[H]/N=C/N.[Ni]
InChIInChI=1S/CH4N2.Ni/c2-1-3;/h1H,(H3,2,3);
InChIKeyWGHRDJZPRJRPQG-UHFFFAOYSA-N
XLogP-0.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.75
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanimidamide;nickel?
The IUPAC name of methanimidamide;nickel (CID 161496739) is methanimidamide;nickel.
What is the SMILES notation for methanimidamide;nickel?
The canonical SMILES for methanimidamide;nickel is [H]/N=C/N.[Ni].
What is the InChIKey of methanimidamide;nickel?
The InChIKey is WGHRDJZPRJRPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2.Ni/c2-1-3;/h1H,(H3,2,3);.
What are the key properties of methanimidamide;nickel?
methanimidamide;nickel has a molecular weight of 102.75 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidamide;nickel is sourced from PubChem (CID 161496739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).