[3-diazenyl-1-(2-diazenylethyl)butyl]diazene

C6H14N6 — CID 175358831

IUPAC[3-diazenyl-1-(2-diazenylethyl)butyl]diazene
SMILES[H]/N=N/CCC(CC(C)/N=N/[H])/N=N/[H]
InChIInChI=1S/C6H14N6/c1-5(11-8)4-6(12-9)2-3-10-7/h5-9H,2-4H2,1H3/b10-7+,11-8+,12-9+
InChIKeyUKWNVVMIXFBHAL-SRDSWEMOSA-N
MW170.22 g/mol
LogP2.62
Rot. Bonds7

About [3-diazenyl-1-(2-diazenylethyl)butyl]diazene

[3-diazenyl-1-(2-diazenylethyl)butyl]diazene (PubChem CID 175358831) has the molecular formula C6H14N6 and a molecular weight of 170.22 g/mol. Its IUPAC name is [3-diazenyl-1-(2-diazenylethyl)butyl]diazene.

Molecular Properties

Compound Name[3-diazenyl-1-(2-diazenylethyl)butyl]diazene
PubChem CID175358831
Molecular FormulaC6H14N6
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC Name[3-diazenyl-1-(2-diazenylethyl)butyl]diazene
SMILES[H]/N=N/CCC(CC(C)/N=N/[H])/N=N/[H]
InChIInChI=1S/C6H14N6/c1-5(11-8)4-6(12-9)2-3-10-7/h5-9H,2-4H2,1H3/b10-7+,11-8+,12-9+
InChIKeyUKWNVVMIXFBHAL-SRDSWEMOSA-N
XLogP2.62
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[5-diazenyl-1-(4-diazenylbutyl)octyl]diazene
CID 174274162
4-diazenyl-2-methylbutanenitrile
CID 174781971
nonan-5-yldiazene
CID 123930065
(1,7-didiazenyl-10-triethoxysilyldecan-4-yl)diazene
CID 175003228
2-diazenyl-N-propan-2-ylpropan-1-amine
CID 157144280
heptyldiazene
CID 89066541
2-diazenylbutane-1,4-dithiol
CID 166589969
N-[18-(butan-2-ylideneamino)-9,11,15,17-tetradiazenyloctadecyl]butan-2-imine
CID 57233814
methyl 3-diazenylbutanoate
CID 123944825
1-diazenylethanethiol
CID 173486196
(1-diazenyl-2-methylpropyl)diazene
CID 57086976
4-diazenyloctane-1,8-diamine
CID 175172672

Frequently Asked Questions

What is the IUPAC name of [3-diazenyl-1-(2-diazenylethyl)butyl]diazene?
The IUPAC name of [3-diazenyl-1-(2-diazenylethyl)butyl]diazene (CID 175358831) is [3-diazenyl-1-(2-diazenylethyl)butyl]diazene.
What is the SMILES notation for [3-diazenyl-1-(2-diazenylethyl)butyl]diazene?
The canonical SMILES for [3-diazenyl-1-(2-diazenylethyl)butyl]diazene is [H]/N=N/CCC(CC(C)/N=N/[H])/N=N/[H].
What is the InChIKey of [3-diazenyl-1-(2-diazenylethyl)butyl]diazene?
The InChIKey is UKWNVVMIXFBHAL-SRDSWEMOSA-N. The full InChI is InChI=1S/C6H14N6/c1-5(11-8)4-6(12-9)2-3-10-7/h5-9H,2-4H2,1H3/b10-7+,11-8+,12-9+.
What are the key properties of [3-diazenyl-1-(2-diazenylethyl)butyl]diazene?
[3-diazenyl-1-(2-diazenylethyl)butyl]diazene has a molecular weight of 170.22 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-diazenyl-1-(2-diazenylethyl)butyl]diazene is sourced from PubChem (CID 175358831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).