bis(1,2,5-oxadiazol-3-yl)diazene

C4H2N6O2 — CID 70165895

IUPACbis(1,2,5-oxadiazol-3-yl)diazene
SMILESc1nonc1/N=N/c1cnon1
InChIInChI=1S/C4H2N6O2/c1-3(9-11-5-1)7-8-4-2-6-12-10-4/h1-2H/b8-7+
InChIKeyXEUSVFYYNLXDNL-BQYQJAHWSA-N
MW166.10 g/mol
LogP0.87
Rot. Bonds2

About bis(1,2,5-oxadiazol-3-yl)diazene

bis(1,2,5-oxadiazol-3-yl)diazene (PubChem CID 70165895) has the molecular formula C4H2N6O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is bis(1,2,5-oxadiazol-3-yl)diazene.

Molecular Properties

Compound Namebis(1,2,5-oxadiazol-3-yl)diazene
PubChem CID70165895
Molecular FormulaC4H2N6O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Namebis(1,2,5-oxadiazol-3-yl)diazene
SMILESc1nonc1/N=N/c1cnon1
InChIInChI=1S/C4H2N6O2/c1-3(9-11-5-1)7-8-4-2-6-12-10-4/h1-2H/b8-7+
InChIKeyXEUSVFYYNLXDNL-BQYQJAHWSA-N
XLogP0.87
TPSA102.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis(1,2,5-oxadiazol-3-yl)diazene?
The IUPAC name of bis(1,2,5-oxadiazol-3-yl)diazene (CID 70165895) is bis(1,2,5-oxadiazol-3-yl)diazene.
What is the SMILES notation for bis(1,2,5-oxadiazol-3-yl)diazene?
The canonical SMILES for bis(1,2,5-oxadiazol-3-yl)diazene is c1nonc1/N=N/c1cnon1.
What is the InChIKey of bis(1,2,5-oxadiazol-3-yl)diazene?
The InChIKey is XEUSVFYYNLXDNL-BQYQJAHWSA-N. The full InChI is InChI=1S/C4H2N6O2/c1-3(9-11-5-1)7-8-4-2-6-12-10-4/h1-2H/b8-7+.
What are the key properties of bis(1,2,5-oxadiazol-3-yl)diazene?
bis(1,2,5-oxadiazol-3-yl)diazene has a molecular weight of 166.10 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,5-oxadiazol-3-yl)diazene is sourced from PubChem (CID 70165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).