5-tert-butyloxadiazolo[5,4-b]pyridine

C9H11N3O — CID 90328675

IUPAC5-tert-butyloxadiazolo[5,4-b]pyridine
SMILESCC(C)(C)c1ccc2nnoc2n1
InChIInChI=1S/C9H11N3O/c1-9(2,3)7-5-4-6-8(10-7)13-12-11-6/h4-5H,1-3H3
InChIKeyCDGXPZBPTRAJRH-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.92
Rot. Bonds

About 5-tert-butyloxadiazolo[5,4-b]pyridine

5-tert-butyloxadiazolo[5,4-b]pyridine (PubChem CID 90328675) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-tert-butyloxadiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-tert-butyloxadiazolo[5,4-b]pyridine
PubChem CID90328675
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-tert-butyloxadiazolo[5,4-b]pyridine
SMILESCC(C)(C)c1ccc2nnoc2n1
InChIInChI=1S/C9H11N3O/c1-9(2,3)7-5-4-6-8(10-7)13-12-11-6/h4-5H,1-3H3
InChIKeyCDGXPZBPTRAJRH-UHFFFAOYSA-N
XLogP1.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyloxadiazolo[5,4-b]pyridine?
The IUPAC name of 5-tert-butyloxadiazolo[5,4-b]pyridine (CID 90328675) is 5-tert-butyloxadiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-tert-butyloxadiazolo[5,4-b]pyridine?
The canonical SMILES for 5-tert-butyloxadiazolo[5,4-b]pyridine is CC(C)(C)c1ccc2nnoc2n1.
What is the InChIKey of 5-tert-butyloxadiazolo[5,4-b]pyridine?
The InChIKey is CDGXPZBPTRAJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-9(2,3)7-5-4-6-8(10-7)13-12-11-6/h4-5H,1-3H3.
What are the key properties of 5-tert-butyloxadiazolo[5,4-b]pyridine?
5-tert-butyloxadiazolo[5,4-b]pyridine has a molecular weight of 177.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyloxadiazolo[5,4-b]pyridine is sourced from PubChem (CID 90328675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).