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

C8H11N3 — CID 23521375

IUPAC1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCCN1C=NC2N=CC=CC21
InChIInChI=1S/C8H11N3/c1-2-11-6-10-8-7(11)4-3-5-9-8/h3-8H,2H2,1H3
InChIKeyFLUJHGFPGMPMEX-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.69
Rot. Bonds1

About 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine

1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine (PubChem CID 23521375) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
PubChem CID23521375
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCCN1C=NC2N=CC=CC21
InChIInChI=1S/C8H11N3/c1-2-11-6-10-8-7(11)4-3-5-9-8/h3-8H,2H2,1H3
InChIKeyFLUJHGFPGMPMEX-UHFFFAOYSA-N
XLogP0.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine (CID 23521375) is 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine is CCN1C=NC2N=CC=CC21.
What is the InChIKey of 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The InChIKey is FLUJHGFPGMPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-11-6-10-8-7(11)4-3-5-9-8/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine has a molecular weight of 149.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 23521375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).