2-(N-phenyldiazenylanilino)acetonitrile

C14H12N4 — CID 555398

IUPAC2-(N-phenyldiazenylanilino)acetonitrile
SMILESN#CCN(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N4/c15-11-12-18(14-9-5-2-6-10-14)17-16-13-7-3-1-4-8-13/h1-10H,12H2/b17-16+
InChIKeyDGASXQYWYKMVJG-WUKNDPDISA-N
MW236.28 g/mol
LogP3.72
Rot. Bonds4

About 2-(N-phenyldiazenylanilino)acetonitrile

2-(N-phenyldiazenylanilino)acetonitrile (PubChem CID 555398) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(N-phenyldiazenylanilino)acetonitrile.

Molecular Properties

Compound Name2-(N-phenyldiazenylanilino)acetonitrile
PubChem CID555398
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(N-phenyldiazenylanilino)acetonitrile
SMILESN#CCN(/N=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N4/c15-11-12-18(14-9-5-2-6-10-14)17-16-13-7-3-1-4-8-13/h1-10H,12H2/b17-16+
InChIKeyDGASXQYWYKMVJG-WUKNDPDISA-N
XLogP3.72
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(N-phenyldiazenylanilino)acetonitrile 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-(N-phenyldiazenylanilino)acetonitrile?
The IUPAC name of 2-(N-phenyldiazenylanilino)acetonitrile (CID 555398) is 2-(N-phenyldiazenylanilino)acetonitrile.
What is the SMILES notation for 2-(N-phenyldiazenylanilino)acetonitrile?
The canonical SMILES for 2-(N-phenyldiazenylanilino)acetonitrile is N#CCN(/N=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-phenyldiazenylanilino)acetonitrile?
The InChIKey is DGASXQYWYKMVJG-WUKNDPDISA-N. The full InChI is InChI=1S/C14H12N4/c15-11-12-18(14-9-5-2-6-10-14)17-16-13-7-3-1-4-8-13/h1-10H,12H2/b17-16+.
What are the key properties of 2-(N-phenyldiazenylanilino)acetonitrile?
2-(N-phenyldiazenylanilino)acetonitrile has a molecular weight of 236.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-phenyldiazenylanilino)acetonitrile is sourced from PubChem (CID 555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).