5-(4-cyanobutyldiazenyl)pentanenitrile

C10H16N4 — CID 21271056

IUPAC5-(4-cyanobutyldiazenyl)pentanenitrile
SMILESN#CCCCC/N=N/CCCCC#N
InChIInChI=1S/C10H16N4/c11-7-3-1-5-9-13-14-10-6-2-4-8-12/h1-6,9-10H2/b14-13+
InChIKeyQNRSQFWYPSFVPW-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.83
Rot. Bonds8

About 5-(4-cyanobutyldiazenyl)pentanenitrile

5-(4-cyanobutyldiazenyl)pentanenitrile (PubChem CID 21271056) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(4-cyanobutyldiazenyl)pentanenitrile.

Molecular Properties

Compound Name5-(4-cyanobutyldiazenyl)pentanenitrile
PubChem CID21271056
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(4-cyanobutyldiazenyl)pentanenitrile
SMILESN#CCCCC/N=N/CCCCC#N
InChIInChI=1S/C10H16N4/c11-7-3-1-5-9-13-14-10-6-2-4-8-12/h1-6,9-10H2/b14-13+
InChIKeyQNRSQFWYPSFVPW-BUHFOSPRSA-N
XLogP2.83
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.83
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 5-(4-cyanobutyldiazenyl)pentanenitrile?
The IUPAC name of 5-(4-cyanobutyldiazenyl)pentanenitrile (CID 21271056) is 5-(4-cyanobutyldiazenyl)pentanenitrile.
What is the SMILES notation for 5-(4-cyanobutyldiazenyl)pentanenitrile?
The canonical SMILES for 5-(4-cyanobutyldiazenyl)pentanenitrile is N#CCCCC/N=N/CCCCC#N.
What is the InChIKey of 5-(4-cyanobutyldiazenyl)pentanenitrile?
The InChIKey is QNRSQFWYPSFVPW-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c11-7-3-1-5-9-13-14-10-6-2-4-8-12/h1-6,9-10H2/b14-13+.
What are the key properties of 5-(4-cyanobutyldiazenyl)pentanenitrile?
5-(4-cyanobutyldiazenyl)pentanenitrile has a molecular weight of 192.27 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanobutyldiazenyl)pentanenitrile is sourced from PubChem (CID 21271056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).