bis(methylimino)azanium

C2H6N3+ — CID 20675087

IUPACbis(methylimino)azanium
SMILESCN=[N+]=NC
InChIInChI=1S/C2H6N3/c1-3-5-4-2/h1-2H3/q+1
InChIKeyGVMRVIJTDFRZJT-UHFFFAOYSA-N
MW72.09 g/mol
LogP0.22
Rot. Bonds

About bis(methylimino)azanium

bis(methylimino)azanium (PubChem CID 20675087) has the molecular formula C2H6N3+ and a molecular weight of 72.09 g/mol. Its IUPAC name is bis(methylimino)azanium.

Molecular Properties

Compound Namebis(methylimino)azanium
PubChem CID20675087
Molecular FormulaC2H6N3+
Molecular Weight72.09 g/mol
Exact Mass72.06
IUPAC Namebis(methylimino)azanium
SMILESCN=[N+]=NC
InChIInChI=1S/C2H6N3/c1-3-5-4-2/h1-2H3/q+1
InChIKeyGVMRVIJTDFRZJT-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.09
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methylimino)azanium?
The IUPAC name of bis(methylimino)azanium (CID 20675087) is bis(methylimino)azanium.
What is the SMILES notation for bis(methylimino)azanium?
The canonical SMILES for bis(methylimino)azanium is CN=[N+]=NC.
What is the InChIKey of bis(methylimino)azanium?
The InChIKey is GVMRVIJTDFRZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N3/c1-3-5-4-2/h1-2H3/q+1.
What are the key properties of bis(methylimino)azanium?
bis(methylimino)azanium has a molecular weight of 72.09 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylimino)azanium is sourced from PubChem (CID 20675087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).