5,5-dicyano-5-diazenylpentanamide

C7H9N5O — CID 146520841

IUPAC5,5-dicyano-5-diazenylpentanamide
SMILES[H]/N=N/C(C#N)(C#N)CCCC(N)=O
InChIInChI=1S/C7H9N5O/c8-4-7(5-9,12-11)3-1-2-6(10)13/h11H,1-3H2,(H2,10,13)/b12-11+
InChIKeyCOFKOFCGPDKJQB-VAWYXSNFSA-N
MW179.18 g/mol
LogP0.46
Rot. Bonds5

About 5,5-dicyano-5-diazenylpentanamide

5,5-dicyano-5-diazenylpentanamide (PubChem CID 146520841) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5,5-dicyano-5-diazenylpentanamide.

Molecular Properties

Compound Name5,5-dicyano-5-diazenylpentanamide
PubChem CID146520841
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5,5-dicyano-5-diazenylpentanamide
SMILES[H]/N=N/C(C#N)(C#N)CCCC(N)=O
InChIInChI=1S/C7H9N5O/c8-4-7(5-9,12-11)3-1-2-6(10)13/h11H,1-3H2,(H2,10,13)/b12-11+
InChIKeyCOFKOFCGPDKJQB-VAWYXSNFSA-N
XLogP0.46
TPSA126.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-diazenyl-2-(3-hydroxypropyl)propanedinitrile
CID 57198752
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
CID 167208165
10-cyanodecanamide
CID 87916786
butanediamide;molybdenum
CID 161333962
3-acetyl-3-diazenyl-2,2,4,4-tetramethylpentanedinitrile
CID 175022889
cyclohexane;hexanediamide
CID 22340258
4-(cyanomethoxy)butanamide
CID 54310026
5-methyl-5-sulfanylhexanamide
CID 174979963
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820

Frequently Asked Questions

What is the IUPAC name of 5,5-dicyano-5-diazenylpentanamide?
The IUPAC name of 5,5-dicyano-5-diazenylpentanamide (CID 146520841) is 5,5-dicyano-5-diazenylpentanamide.
What is the SMILES notation for 5,5-dicyano-5-diazenylpentanamide?
The canonical SMILES for 5,5-dicyano-5-diazenylpentanamide is [H]/N=N/C(C#N)(C#N)CCCC(N)=O.
What is the InChIKey of 5,5-dicyano-5-diazenylpentanamide?
The InChIKey is COFKOFCGPDKJQB-VAWYXSNFSA-N. The full InChI is InChI=1S/C7H9N5O/c8-4-7(5-9,12-11)3-1-2-6(10)13/h11H,1-3H2,(H2,10,13)/b12-11+.
What are the key properties of 5,5-dicyano-5-diazenylpentanamide?
5,5-dicyano-5-diazenylpentanamide has a molecular weight of 179.18 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyano-5-diazenylpentanamide is sourced from PubChem (CID 146520841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).