benzenediazonium

C6H5N2+ — CID 9718

IUPACbenzenediazonium
SMILESN#[N+]c1ccccc1
InChIInChI=1S/C6H5N2/c7-8-6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyCIZVQWNPBGYCGK-UHFFFAOYSA-N
MW105.12 g/mol
LogP2.17
Rot. Bonds

About benzenediazonium

benzenediazonium (PubChem CID 9718) has the molecular formula C6H5N2+ and a molecular weight of 105.12 g/mol. Its IUPAC name is benzenediazonium.

Molecular Properties

Compound Namebenzenediazonium
PubChem CID9718
Molecular FormulaC6H5N2+
Molecular Weight105.12 g/mol
Exact Mass105.04
IUPAC Namebenzenediazonium
SMILESN#[N+]c1ccccc1
InChIInChI=1S/C6H5N2/c7-8-6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyCIZVQWNPBGYCGK-UHFFFAOYSA-N
XLogP2.17
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzenediazonium with MolForge

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

Launch Full Analysis

Related Compounds

Aniline
CID 6115
P-Phenylenediamine
CID 7814
Phenylhydrazine
CID 7516
Phenyl Isothiocyanate
CID 7673
M-Phenylenediamine
CID 7935
N-Phenylhydroxylamine
CID 7518
4-Aminoazobenzene
CID 6051
4-Fluoroaniline
CID 9731
Phenyl isocyanate
CID 7672
1,4-Diaminobenzene dihydrochloride
CID 12205
Benzenamine hydrochloride (1:1)
CID 8870
Phenylhydrazine hydrochloride
CID 60962

Frequently Asked Questions

What is the IUPAC name of benzenediazonium?
The IUPAC name of benzenediazonium (CID 9718) is benzenediazonium.
What is the SMILES notation for benzenediazonium?
The canonical SMILES for benzenediazonium is N#[N+]c1ccccc1.
What is the InChIKey of benzenediazonium?
The InChIKey is CIZVQWNPBGYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2/c7-8-6-4-2-1-3-5-6/h1-5H/q+1.
What are the key properties of benzenediazonium?
benzenediazonium has a molecular weight of 105.12 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium is sourced from PubChem (CID 9718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).