diphenyldiazene;oxalonitrile

C14H10N4 — CID 174439181

IUPACdiphenyldiazene;oxalonitrile
SMILESN#CC#N.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C2N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;3-1-2-4/h1-10H;/b14-13+;
InChIKeySKPPYCPXZALLGI-IERUDJENSA-N
MW234.26 g/mol
LogP4.14
Rot. Bonds2

About diphenyldiazene;oxalonitrile

diphenyldiazene;oxalonitrile (PubChem CID 174439181) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is diphenyldiazene;oxalonitrile.

Molecular Properties

Compound Namediphenyldiazene;oxalonitrile
PubChem CID174439181
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Namediphenyldiazene;oxalonitrile
SMILESN#CC#N.c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H10N2.C2N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;3-1-2-4/h1-10H;/b14-13+;
InChIKeySKPPYCPXZALLGI-IERUDJENSA-N
XLogP4.14
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyldiazene;oxalonitrile 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 diphenyldiazene;oxalonitrile?
The IUPAC name of diphenyldiazene;oxalonitrile (CID 174439181) is diphenyldiazene;oxalonitrile.
What is the SMILES notation for diphenyldiazene;oxalonitrile?
The canonical SMILES for diphenyldiazene;oxalonitrile is N#CC#N.c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of diphenyldiazene;oxalonitrile?
The InChIKey is SKPPYCPXZALLGI-IERUDJENSA-N. The full InChI is InChI=1S/C12H10N2.C2N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;3-1-2-4/h1-10H;/b14-13+;.
What are the key properties of diphenyldiazene;oxalonitrile?
diphenyldiazene;oxalonitrile has a molecular weight of 234.26 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyldiazene;oxalonitrile is sourced from PubChem (CID 174439181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).