4-(3-cyanopropyldiazenyl)butanenitrile

C8H12N4 — CID 14151322

IUPAC4-(3-cyanopropyldiazenyl)butanenitrile
SMILESN#CCCC/N=N/CCCC#N
InChIInChI=1S/C8H12N4/c9-5-1-3-7-11-12-8-4-2-6-10/h1-4,7-8H2/b12-11+
InChIKeyYCIGYTFKOXGYTA-VAWYXSNFSA-N
MW164.21 g/mol
LogP2.05
Rot. Bonds6

About 4-(3-cyanopropyldiazenyl)butanenitrile

4-(3-cyanopropyldiazenyl)butanenitrile (PubChem CID 14151322) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(3-cyanopropyldiazenyl)butanenitrile.

Molecular Properties

Compound Name4-(3-cyanopropyldiazenyl)butanenitrile
PubChem CID14151322
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-(3-cyanopropyldiazenyl)butanenitrile
SMILESN#CCCC/N=N/CCCC#N
InChIInChI=1S/C8H12N4/c9-5-1-3-7-11-12-8-4-2-6-10/h1-4,7-8H2/b12-11+
InChIKeyYCIGYTFKOXGYTA-VAWYXSNFSA-N
XLogP2.05
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.05
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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Related Compounds

5-Azidopentanenitrile
CID 3289645
4-Azidobutanenitrile
CID 3975474
5,5'-(1,2-Diazenediyl)bis[pentanenitrile]
CID 21271056
2-[(2,3-Dicyanopropyldiazenyl)methyl]butanedinitrile
CID 17802600
6-(5-Cyanopentyldiazenyl)hexanenitrile
CID 54180537
3-(2-Cyanoethyldiazenyl)propanenitrile
CID 54345844
2-(Butyldiazenyl)pentanedinitrile
CID 174258490

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopropyldiazenyl)butanenitrile?
The IUPAC name of 4-(3-cyanopropyldiazenyl)butanenitrile (CID 14151322) is 4-(3-cyanopropyldiazenyl)butanenitrile.
What is the SMILES notation for 4-(3-cyanopropyldiazenyl)butanenitrile?
The canonical SMILES for 4-(3-cyanopropyldiazenyl)butanenitrile is N#CCCC/N=N/CCCC#N.
What is the InChIKey of 4-(3-cyanopropyldiazenyl)butanenitrile?
The InChIKey is YCIGYTFKOXGYTA-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H12N4/c9-5-1-3-7-11-12-8-4-2-6-10/h1-4,7-8H2/b12-11+.
What are the key properties of 4-(3-cyanopropyldiazenyl)butanenitrile?
4-(3-cyanopropyldiazenyl)butanenitrile has a molecular weight of 164.21 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopropyldiazenyl)butanenitrile is sourced from PubChem (CID 14151322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).