cyclohexa-1,3-dien-1-yldiazene

C6H8N2 — CID 23218793

IUPACcyclohexa-1,3-dien-1-yldiazene
SMILES[H]/N=N/C1=CC=CCC1
InChIInChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2/b8-7+
InChIKeyATVYLOGNFGFTFM-BQYQJAHWSA-N
MW108.14 g/mol
LogP2.25
Rot. Bonds1

About cyclohexa-1,3-dien-1-yldiazene

cyclohexa-1,3-dien-1-yldiazene (PubChem CID 23218793) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yldiazene.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yldiazene
PubChem CID23218793
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Namecyclohexa-1,3-dien-1-yldiazene
SMILES[H]/N=N/C1=CC=CCC1
InChIInChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2/b8-7+
InChIKeyATVYLOGNFGFTFM-BQYQJAHWSA-N
XLogP2.25
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yldiazene?
The IUPAC name of cyclohexa-1,3-dien-1-yldiazene (CID 23218793) is cyclohexa-1,3-dien-1-yldiazene.
What is the SMILES notation for cyclohexa-1,3-dien-1-yldiazene?
The canonical SMILES for cyclohexa-1,3-dien-1-yldiazene is [H]/N=N/C1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-yldiazene?
The InChIKey is ATVYLOGNFGFTFM-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2/b8-7+.
What are the key properties of cyclohexa-1,3-dien-1-yldiazene?
cyclohexa-1,3-dien-1-yldiazene has a molecular weight of 108.14 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yldiazene is sourced from PubChem (CID 23218793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).