3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene

C5H6IN3 — CID 163928020

IUPAC3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene
SMILESN/N=N/C1=CI=CC=C1
InChIInChI=1S/C5H6IN3/c7-9-8-5-2-1-3-6-4-5/h1-4H,(H2,7,8)
InChIKeyRGEOGAXRQRHEAE-UHFFFAOYSA-N
MW235.03 g/mol
LogP1.50
Rot. Bonds1

About 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene

3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene (PubChem CID 163928020) has the molecular formula C5H6IN3 and a molecular weight of 235.03 g/mol. Its IUPAC name is 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene
PubChem CID163928020
Molecular FormulaC5H6IN3
Molecular Weight235.03 g/mol
Exact Mass234.96
IUPAC Name3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene
SMILESN/N=N/C1=CI=CC=C1
InChIInChI=1S/C5H6IN3/c7-9-8-5-2-1-3-6-4-5/h1-4H,(H2,7,8)
InChIKeyRGEOGAXRQRHEAE-UHFFFAOYSA-N
XLogP1.50
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene 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 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene?
The IUPAC name of 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene (CID 163928020) is 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene.
What is the SMILES notation for 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene?
The canonical SMILES for 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene is N/N=N/C1=CI=CC=C1.
What is the InChIKey of 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene?
The InChIKey is RGEOGAXRQRHEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3/c7-9-8-5-2-1-3-6-4-5/h1-4H,(H2,7,8).
What are the key properties of 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene?
3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene has a molecular weight of 235.03 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminodiazenyl)-1λ3-iodacyclohexa-2,4,6-triene is sourced from PubChem (CID 163928020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).