3-(2-cyanoethyldiazenyl)propanenitrile

C6H8N4 — CID 54345844

IUPAC3-(2-cyanoethyldiazenyl)propanenitrile
SMILESN#CCC/N=N/CCC#N
InChIInChI=1S/C6H8N4/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H2/b10-9+
InChIKeyUCGOQGBEPKQWHZ-MDZDMXLPSA-N
MW136.16 g/mol
LogP1.27
Rot. Bonds4

About 3-(2-cyanoethyldiazenyl)propanenitrile

3-(2-cyanoethyldiazenyl)propanenitrile (PubChem CID 54345844) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 3-(2-cyanoethyldiazenyl)propanenitrile.

Molecular Properties

Compound Name3-(2-cyanoethyldiazenyl)propanenitrile
PubChem CID54345844
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name3-(2-cyanoethyldiazenyl)propanenitrile
SMILESN#CCC/N=N/CCC#N
InChIInChI=1S/C6H8N4/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H2/b10-9+
InChIKeyUCGOQGBEPKQWHZ-MDZDMXLPSA-N
XLogP1.27
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoethyldiazenyl)propanenitrile?
The IUPAC name of 3-(2-cyanoethyldiazenyl)propanenitrile (CID 54345844) is 3-(2-cyanoethyldiazenyl)propanenitrile.
What is the SMILES notation for 3-(2-cyanoethyldiazenyl)propanenitrile?
The canonical SMILES for 3-(2-cyanoethyldiazenyl)propanenitrile is N#CCC/N=N/CCC#N.
What is the InChIKey of 3-(2-cyanoethyldiazenyl)propanenitrile?
The InChIKey is UCGOQGBEPKQWHZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C6H8N4/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H2/b10-9+.
What are the key properties of 3-(2-cyanoethyldiazenyl)propanenitrile?
3-(2-cyanoethyldiazenyl)propanenitrile has a molecular weight of 136.16 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoethyldiazenyl)propanenitrile is sourced from PubChem (CID 54345844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).