3-tert-butylimidazo[1,5-a]pyridine

C11H14N2 — CID 5119094

IUPAC3-tert-butylimidazo[1,5-a]pyridine
SMILESCC(C)(C)c1ncc2ccccn12
InChIInChI=1S/C11H14N2/c1-11(2,3)10-12-8-9-6-4-5-7-13(9)10/h4-8H,1-3H3
InChIKeyISBIMQCUWWJKJS-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.63
Rot. Bonds

About 3-tert-butylimidazo[1,5-a]pyridine

3-tert-butylimidazo[1,5-a]pyridine (PubChem CID 5119094) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-tert-butylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butylimidazo[1,5-a]pyridine
PubChem CID5119094
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-tert-butylimidazo[1,5-a]pyridine
SMILESCC(C)(C)c1ncc2ccccn12
InChIInChI=1S/C11H14N2/c1-11(2,3)10-12-8-9-6-4-5-7-13(9)10/h4-8H,1-3H3
InChIKeyISBIMQCUWWJKJS-UHFFFAOYSA-N
XLogP2.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimidazo[1,5-a]pyridine?
The IUPAC name of 3-tert-butylimidazo[1,5-a]pyridine (CID 5119094) is 3-tert-butylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butylimidazo[1,5-a]pyridine is CC(C)(C)c1ncc2ccccn12.
What is the InChIKey of 3-tert-butylimidazo[1,5-a]pyridine?
The InChIKey is ISBIMQCUWWJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)10-12-8-9-6-4-5-7-13(9)10/h4-8H,1-3H3.
What are the key properties of 3-tert-butylimidazo[1,5-a]pyridine?
3-tert-butylimidazo[1,5-a]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimidazo[1,5-a]pyridine is sourced from PubChem (CID 5119094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).