oxadiazolo[5,4-b]pyridine

C5H3N3O — CID 56972355

IUPACoxadiazolo[5,4-b]pyridine
SMILESc1cnc2onnc2c1
InChIInChI=1S/C5H3N3O/c1-2-4-5(6-3-1)9-8-7-4/h1-3H
InChIKeyRWXCVESEMJNNMF-UHFFFAOYSA-N
MW121.10 g/mol
LogP0.62
Rot. Bonds

About oxadiazolo[5,4-b]pyridine

oxadiazolo[5,4-b]pyridine (PubChem CID 56972355) has the molecular formula C5H3N3O and a molecular weight of 121.10 g/mol. Its IUPAC name is oxadiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameoxadiazolo[5,4-b]pyridine
PubChem CID56972355
Molecular FormulaC5H3N3O
Molecular Weight121.10 g/mol
Exact Mass121.03
IUPAC Nameoxadiazolo[5,4-b]pyridine
SMILESc1cnc2onnc2c1
InChIInChI=1S/C5H3N3O/c1-2-4-5(6-3-1)9-8-7-4/h1-3H
InChIKeyRWXCVESEMJNNMF-UHFFFAOYSA-N
XLogP0.62
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxadiazolo[5,4-b]pyridine?
The IUPAC name of oxadiazolo[5,4-b]pyridine (CID 56972355) is oxadiazolo[5,4-b]pyridine.
What is the SMILES notation for oxadiazolo[5,4-b]pyridine?
The canonical SMILES for oxadiazolo[5,4-b]pyridine is c1cnc2onnc2c1.
What is the InChIKey of oxadiazolo[5,4-b]pyridine?
The InChIKey is RWXCVESEMJNNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O/c1-2-4-5(6-3-1)9-8-7-4/h1-3H.
What are the key properties of oxadiazolo[5,4-b]pyridine?
oxadiazolo[5,4-b]pyridine has a molecular weight of 121.10 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazolo[5,4-b]pyridine is sourced from PubChem (CID 56972355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).