2-diazonioimino-1,3-dimethylimidazolidine

C5H10N5+ — CID 53342900

IUPAC2-diazonioimino-1,3-dimethylimidazolidine
SMILESCN1CCN(C)C1=N[N+]#N
InChIInChI=1S/C5H10N5/c1-9-3-4-10(2)5(9)7-8-6/h3-4H2,1-2H3/q+1
InChIKeyDFQWZENBAIPLKF-UHFFFAOYSA-N
MW140.17 g/mol
LogP-0.01
Rot. Bonds

About 2-diazonioimino-1,3-dimethylimidazolidine

2-diazonioimino-1,3-dimethylimidazolidine (PubChem CID 53342900) has the molecular formula C5H10N5+ and a molecular weight of 140.17 g/mol. Its IUPAC name is 2-diazonioimino-1,3-dimethylimidazolidine.

Molecular Properties

Compound Name2-diazonioimino-1,3-dimethylimidazolidine
PubChem CID53342900
Molecular FormulaC5H10N5+
Molecular Weight140.17 g/mol
Exact Mass140.09
IUPAC Name2-diazonioimino-1,3-dimethylimidazolidine
SMILESCN1CCN(C)C1=N[N+]#N
InChIInChI=1S/C5H10N5/c1-9-3-4-10(2)5(9)7-8-6/h3-4H2,1-2H3/q+1
InChIKeyDFQWZENBAIPLKF-UHFFFAOYSA-N
XLogP-0.01
TPSA46.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-diazonioimino-1,3-dimethylimidazolidine 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 2-diazonioimino-1,3-dimethylimidazolidine?
The IUPAC name of 2-diazonioimino-1,3-dimethylimidazolidine (CID 53342900) is 2-diazonioimino-1,3-dimethylimidazolidine.
What is the SMILES notation for 2-diazonioimino-1,3-dimethylimidazolidine?
The canonical SMILES for 2-diazonioimino-1,3-dimethylimidazolidine is CN1CCN(C)C1=N[N+]#N.
What is the InChIKey of 2-diazonioimino-1,3-dimethylimidazolidine?
The InChIKey is DFQWZENBAIPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N5/c1-9-3-4-10(2)5(9)7-8-6/h3-4H2,1-2H3/q+1.
What are the key properties of 2-diazonioimino-1,3-dimethylimidazolidine?
2-diazonioimino-1,3-dimethylimidazolidine has a molecular weight of 140.17 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonioimino-1,3-dimethylimidazolidine is sourced from PubChem (CID 53342900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).