3-tert-butyl-6-methylimidazo[1,5-a]pyridine

C12H16N2 — CID 117139745

IUPAC3-tert-butyl-6-methylimidazo[1,5-a]pyridine
SMILESCc1ccc2cnc(C(C)(C)C)n2c1
InChIInChI=1S/C12H16N2/c1-9-5-6-10-7-13-11(12(2,3)4)14(10)8-9/h5-8H,1-4H3
InChIKeyLAXGJOFIRSMNDU-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.94
Rot. Bonds

About 3-tert-butyl-6-methylimidazo[1,5-a]pyridine

3-tert-butyl-6-methylimidazo[1,5-a]pyridine (PubChem CID 117139745) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-tert-butyl-6-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-6-methylimidazo[1,5-a]pyridine
PubChem CID117139745
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-tert-butyl-6-methylimidazo[1,5-a]pyridine
SMILESCc1ccc2cnc(C(C)(C)C)n2c1
InChIInChI=1S/C12H16N2/c1-9-5-6-10-7-13-11(12(2,3)4)14(10)8-9/h5-8H,1-4H3
InChIKeyLAXGJOFIRSMNDU-UHFFFAOYSA-N
XLogP2.94
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methylimidazo[1,5-a]pyridine?
The IUPAC name of 3-tert-butyl-6-methylimidazo[1,5-a]pyridine (CID 117139745) is 3-tert-butyl-6-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butyl-6-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butyl-6-methylimidazo[1,5-a]pyridine is Cc1ccc2cnc(C(C)(C)C)n2c1.
What is the InChIKey of 3-tert-butyl-6-methylimidazo[1,5-a]pyridine?
The InChIKey is LAXGJOFIRSMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-5-6-10-7-13-11(12(2,3)4)14(10)8-9/h5-8H,1-4H3.
What are the key properties of 3-tert-butyl-6-methylimidazo[1,5-a]pyridine?
3-tert-butyl-6-methylimidazo[1,5-a]pyridine has a molecular weight of 188.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117139745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).