2-(1-cyanoethyldiazenyl)propanenitrile

C6H8N4 — CID 15246093

IUPAC2-(1-cyanoethyldiazenyl)propanenitrile
SMILESCC(C#N)/N=N/C(C)C#N
InChIInChI=1S/C6H8N4/c1-5(3-7)9-10-6(2)4-8/h5-6H,1-2H3/b10-9+
InChIKeyLUIMSMUHYNOORM-MDZDMXLPSA-N
MW136.16 g/mol
LogP1.26
Rot. Bonds2

About 2-(1-cyanoethyldiazenyl)propanenitrile

2-(1-cyanoethyldiazenyl)propanenitrile (PubChem CID 15246093) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-(1-cyanoethyldiazenyl)propanenitrile.

Molecular Properties

Compound Name2-(1-cyanoethyldiazenyl)propanenitrile
PubChem CID15246093
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-(1-cyanoethyldiazenyl)propanenitrile
SMILESCC(C#N)/N=N/C(C)C#N
InChIInChI=1S/C6H8N4/c1-5(3-7)9-10-6(2)4-8/h5-6H,1-2H3/b10-9+
InChIKeyLUIMSMUHYNOORM-MDZDMXLPSA-N
XLogP1.26
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 51.26
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'}

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Related Compounds

2-Azidopropanenitrile
CID 13513860
2,2'-[(E)-Diazenediyl]dibutanenitrile
CID 13080243
Azidobutyronitrile
CID 61698808
3-(1-Cyanopropan-2-yldiazenyl)butanenitrile
CID 14369524
4-Azidopentanonitrile
CID 20505518
2-Methyl-2-(propan-2-yldiazenyl)propanenitrile
CID 21311754
2-(1-Cyanoethyldiazenyl)-2-methylpropanenitrile
CID 21896167
2-(Dicyanomethyldiazenyl)propanedinitrile
CID 53872924
3-(2-Cyanoethyldiazenyl)propanenitrile
CID 54345844
2-Azidopentanenitrile
CID 85658966
2-(Pentyldiazenyl)propanedinitrile
CID 88511836
2-(Methyldiazenyl)propanenitrile
CID 90739677

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanoethyldiazenyl)propanenitrile?
The IUPAC name of 2-(1-cyanoethyldiazenyl)propanenitrile (CID 15246093) is 2-(1-cyanoethyldiazenyl)propanenitrile.
What is the SMILES notation for 2-(1-cyanoethyldiazenyl)propanenitrile?
The canonical SMILES for 2-(1-cyanoethyldiazenyl)propanenitrile is CC(C#N)/N=N/C(C)C#N.
What is the InChIKey of 2-(1-cyanoethyldiazenyl)propanenitrile?
The InChIKey is LUIMSMUHYNOORM-MDZDMXLPSA-N. The full InChI is InChI=1S/C6H8N4/c1-5(3-7)9-10-6(2)4-8/h5-6H,1-2H3/b10-9+.
What are the key properties of 2-(1-cyanoethyldiazenyl)propanenitrile?
2-(1-cyanoethyldiazenyl)propanenitrile has a molecular weight of 136.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanoethyldiazenyl)propanenitrile is sourced from PubChem (CID 15246093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).