2-[(2-aminophenyl)diazenyl]aniline

C12H12N4 — CID 564212

IUPAC2-[(2-aminophenyl)diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccccc1N
InChIInChI=1S/C12H12N4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2/b16-15+
InChIKeyJJHMECBCPWRGMR-FOCLMDBBSA-N
MW212.26 g/mol
LogP3.27
Rot. Bonds2

About 2-[(2-aminophenyl)diazenyl]aniline

2-[(2-aminophenyl)diazenyl]aniline (PubChem CID 564212) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(2-aminophenyl)diazenyl]aniline.

Molecular Properties

Compound Name2-[(2-aminophenyl)diazenyl]aniline
PubChem CID564212
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-[(2-aminophenyl)diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccccc1N
InChIInChI=1S/C12H12N4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2/b16-15+
InChIKeyJJHMECBCPWRGMR-FOCLMDBBSA-N
XLogP3.27
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)diazenyl]aniline?
The IUPAC name of 2-[(2-aminophenyl)diazenyl]aniline (CID 564212) is 2-[(2-aminophenyl)diazenyl]aniline.
What is the SMILES notation for 2-[(2-aminophenyl)diazenyl]aniline?
The canonical SMILES for 2-[(2-aminophenyl)diazenyl]aniline is Nc1ccccc1/N=N/c1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)diazenyl]aniline?
The InChIKey is JJHMECBCPWRGMR-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H12N4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2/b16-15+.
What are the key properties of 2-[(2-aminophenyl)diazenyl]aniline?
2-[(2-aminophenyl)diazenyl]aniline has a molecular weight of 212.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)diazenyl]aniline is sourced from PubChem (CID 564212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).