2-(1,4-dicyanobutyldiazenyl)hexanedinitrile

C12H14N6 — CID 175473218

IUPAC2-(1,4-dicyanobutyldiazenyl)hexanedinitrile
SMILESN#CCCCC(C#N)/N=N/C(C#N)CCCC#N
InChIInChI=1S/C12H14N6/c13-7-3-1-5-11(9-15)17-18-12(10-16)6-2-4-8-14/h11-12H,1-6H2/b18-17+
InChIKeyHNFJUZSZRLHHFI-ISLYRVAYSA-N
MW242.29 g/mol
LogP2.61
Rot. Bonds8

About 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile

2-(1,4-dicyanobutyldiazenyl)hexanedinitrile (PubChem CID 175473218) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile.

Molecular Properties

Compound Name2-(1,4-dicyanobutyldiazenyl)hexanedinitrile
PubChem CID175473218
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(1,4-dicyanobutyldiazenyl)hexanedinitrile
SMILESN#CCCCC(C#N)/N=N/C(C#N)CCCC#N
InChIInChI=1S/C12H14N6/c13-7-3-1-5-11(9-15)17-18-12(10-16)6-2-4-8-14/h11-12H,1-6H2/b18-17+
InChIKeyHNFJUZSZRLHHFI-ISLYRVAYSA-N
XLogP2.61
TPSA119.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile 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-(1,4-dicyanobutyldiazenyl)hexanedinitrile?
The IUPAC name of 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile (CID 175473218) is 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile.
What is the SMILES notation for 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile?
The canonical SMILES for 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile is N#CCCCC(C#N)/N=N/C(C#N)CCCC#N.
What is the InChIKey of 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile?
The InChIKey is HNFJUZSZRLHHFI-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H14N6/c13-7-3-1-5-11(9-15)17-18-12(10-16)6-2-4-8-14/h11-12H,1-6H2/b18-17+.
What are the key properties of 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile?
2-(1,4-dicyanobutyldiazenyl)hexanedinitrile has a molecular weight of 242.29 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dicyanobutyldiazenyl)hexanedinitrile is sourced from PubChem (CID 175473218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).