2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine

C11H17N3 — CID 70344580

IUPAC2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCCC1=NC2C(C)=CC(C)=NC2N1C
InChIInChI=1S/C11H17N3/c1-5-9-13-10-7(2)6-8(3)12-11(10)14(9)4/h6,10-11H,5H2,1-4H3
InChIKeyQZLNZAMJJTXMFJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.86
Rot. Bonds1

About 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine

2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine (PubChem CID 70344580) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
PubChem CID70344580
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCCC1=NC2C(C)=CC(C)=NC2N1C
InChIInChI=1S/C11H17N3/c1-5-9-13-10-7(2)6-8(3)12-11(10)14(9)4/h6,10-11H,5H2,1-4H3
InChIKeyQZLNZAMJJTXMFJ-UHFFFAOYSA-N
XLogP1.86
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine (CID 70344580) is 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine is CCC1=NC2C(C)=CC(C)=NC2N1C.
What is the InChIKey of 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The InChIKey is QZLNZAMJJTXMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-9-13-10-7(2)6-8(3)12-11(10)14(9)4/h6,10-11H,5H2,1-4H3.
What are the key properties of 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine has a molecular weight of 191.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 70344580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).