(4,5-dicyanoimidazol-2-ylidene)-iminoazanium

C5HN6+ — CID 23278237

IUPAC(4,5-dicyanoimidazol-2-ylidene)-iminoazanium
SMILESN#CC1=NC(=[N+]=N)N=C1C#N
InChIInChI=1S/C5HN6/c6-1-3-4(2-7)10-5(9-3)11-8/h8H/q+1
InChIKeyKKXSNDWVPXZGGR-UHFFFAOYSA-N
MW145.10 g/mol
LogP-0.48
Rot. Bonds

About (4,5-dicyanoimidazol-2-ylidene)-iminoazanium

(4,5-dicyanoimidazol-2-ylidene)-iminoazanium (PubChem CID 23278237) has the molecular formula C5HN6+ and a molecular weight of 145.10 g/mol. Its IUPAC name is (4,5-dicyanoimidazol-2-ylidene)-iminoazanium.

Molecular Properties

Compound Name(4,5-dicyanoimidazol-2-ylidene)-iminoazanium
PubChem CID23278237
Molecular FormulaC5HN6+
Molecular Weight145.10 g/mol
Exact Mass145.03
IUPAC Name(4,5-dicyanoimidazol-2-ylidene)-iminoazanium
SMILESN#CC1=NC(=[N+]=N)N=C1C#N
InChIInChI=1S/C5HN6/c6-1-3-4(2-7)10-5(9-3)11-8/h8H/q+1
InChIKeyKKXSNDWVPXZGGR-UHFFFAOYSA-N
XLogP-0.48
TPSA110.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.10
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,5-dicyanoimidazol-2-ylidene)-iminoazanium?
The IUPAC name of (4,5-dicyanoimidazol-2-ylidene)-iminoazanium (CID 23278237) is (4,5-dicyanoimidazol-2-ylidene)-iminoazanium.
What is the SMILES notation for (4,5-dicyanoimidazol-2-ylidene)-iminoazanium?
The canonical SMILES for (4,5-dicyanoimidazol-2-ylidene)-iminoazanium is N#CC1=NC(=[N+]=N)N=C1C#N.
What is the InChIKey of (4,5-dicyanoimidazol-2-ylidene)-iminoazanium?
The InChIKey is KKXSNDWVPXZGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HN6/c6-1-3-4(2-7)10-5(9-3)11-8/h8H/q+1.
What are the key properties of (4,5-dicyanoimidazol-2-ylidene)-iminoazanium?
(4,5-dicyanoimidazol-2-ylidene)-iminoazanium has a molecular weight of 145.10 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dicyanoimidazol-2-ylidene)-iminoazanium is sourced from PubChem (CID 23278237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).