dicyano(dimethyl)azanium

C4H6N3+ — CID 91465512

IUPACdicyano(dimethyl)azanium
SMILESC[N+](C)(C#N)C#N
InChIInChI=1S/C4H6N3/c1-7(2,3-5)4-6/h1-2H3/q+1
InChIKeyGUUPXNBDHIBAGE-UHFFFAOYSA-N
MW96.11 g/mol
LogP0.02
Rot. Bonds

About dicyano(dimethyl)azanium

dicyano(dimethyl)azanium (PubChem CID 91465512) has the molecular formula C4H6N3+ and a molecular weight of 96.11 g/mol. Its IUPAC name is dicyano(dimethyl)azanium.

Molecular Properties

Compound Namedicyano(dimethyl)azanium
PubChem CID91465512
Molecular FormulaC4H6N3+
Molecular Weight96.11 g/mol
Exact Mass96.06
IUPAC Namedicyano(dimethyl)azanium
SMILESC[N+](C)(C#N)C#N
InChIInChI=1S/C4H6N3/c1-7(2,3-5)4-6/h1-2H3/q+1
InChIKeyGUUPXNBDHIBAGE-UHFFFAOYSA-N
XLogP0.02
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dicyano(dimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicyano(dimethyl)azanium?
The IUPAC name of dicyano(dimethyl)azanium (CID 91465512) is dicyano(dimethyl)azanium.
What is the SMILES notation for dicyano(dimethyl)azanium?
The canonical SMILES for dicyano(dimethyl)azanium is C[N+](C)(C#N)C#N.
What is the InChIKey of dicyano(dimethyl)azanium?
The InChIKey is GUUPXNBDHIBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3/c1-7(2,3-5)4-6/h1-2H3/q+1.
What are the key properties of dicyano(dimethyl)azanium?
dicyano(dimethyl)azanium has a molecular weight of 96.11 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyano(dimethyl)azanium is sourced from PubChem (CID 91465512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).