1,4-dichloro-2-(diazonioamino)benzene

C6H4Cl2N3+ — CID 21276638

IUPAC1,4-dichloro-2-(diazonioamino)benzene
SMILESN#[N+]Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2N3/c7-4-1-2-5(8)6(3-4)10-11-9/h1-3,10H/q+1
InChIKeyUGJNPQLTUONLBR-UHFFFAOYSA-N
MW189.03 g/mol
LogP3.17
Rot. Bonds1

About 1,4-dichloro-2-(diazonioamino)benzene

1,4-dichloro-2-(diazonioamino)benzene (PubChem CID 21276638) has the molecular formula C6H4Cl2N3+ and a molecular weight of 189.03 g/mol. Its IUPAC name is 1,4-dichloro-2-(diazonioamino)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(diazonioamino)benzene
PubChem CID21276638
Molecular FormulaC6H4Cl2N3+
Molecular Weight189.03 g/mol
Exact Mass187.98
IUPAC Name1,4-dichloro-2-(diazonioamino)benzene
SMILESN#[N+]Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2N3/c7-4-1-2-5(8)6(3-4)10-11-9/h1-3,10H/q+1
InChIKeyUGJNPQLTUONLBR-UHFFFAOYSA-N
XLogP3.17
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.03
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-dichloro-2-(diazonioamino)benzene 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 1,4-dichloro-2-(diazonioamino)benzene?
The IUPAC name of 1,4-dichloro-2-(diazonioamino)benzene (CID 21276638) is 1,4-dichloro-2-(diazonioamino)benzene.
What is the SMILES notation for 1,4-dichloro-2-(diazonioamino)benzene?
The canonical SMILES for 1,4-dichloro-2-(diazonioamino)benzene is N#[N+]Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(diazonioamino)benzene?
The InChIKey is UGJNPQLTUONLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N3/c7-4-1-2-5(8)6(3-4)10-11-9/h1-3,10H/q+1.
What are the key properties of 1,4-dichloro-2-(diazonioamino)benzene?
1,4-dichloro-2-(diazonioamino)benzene has a molecular weight of 189.03 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(diazonioamino)benzene is sourced from PubChem (CID 21276638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).