2-(aminodiazenyl)cyclohexa-1,3-diene

C6H9N3 — CID 118190089

IUPAC2-(aminodiazenyl)cyclohexa-1,3-diene
SMILESN/N=N/C1=CCCC=C1
InChIInChI=1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H2,7,8)
InChIKeyJDQUZOPOMOOABZ-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.55
Rot. Bonds1

About 2-(aminodiazenyl)cyclohexa-1,3-diene

2-(aminodiazenyl)cyclohexa-1,3-diene (PubChem CID 118190089) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-(aminodiazenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(aminodiazenyl)cyclohexa-1,3-diene
PubChem CID118190089
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2-(aminodiazenyl)cyclohexa-1,3-diene
SMILESN/N=N/C1=CCCC=C1
InChIInChI=1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H2,7,8)
InChIKeyJDQUZOPOMOOABZ-UHFFFAOYSA-N
XLogP1.55
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.55
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'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminodiazenyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(aminodiazenyl)cyclohexa-1,3-diene (CID 118190089) is 2-(aminodiazenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(aminodiazenyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(aminodiazenyl)cyclohexa-1,3-diene is N/N=N/C1=CCCC=C1.
What is the InChIKey of 2-(aminodiazenyl)cyclohexa-1,3-diene?
The InChIKey is JDQUZOPOMOOABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-9-8-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H2,7,8).
What are the key properties of 2-(aminodiazenyl)cyclohexa-1,3-diene?
2-(aminodiazenyl)cyclohexa-1,3-diene has a molecular weight of 123.16 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 118190089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).