3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine

C7H9N3 — CID 89045341

IUPAC3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine
SMILESCN1CN=C2C=CC=NC21
InChIInChI=1S/C7H9N3/c1-10-5-9-6-3-2-4-8-7(6)10/h2-4,7H,5H2,1H3
InChIKeyABLQUJQRGLIODZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.30
Rot. Bonds

About 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine

3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine (PubChem CID 89045341) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine
PubChem CID89045341
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine
SMILESCN1CN=C2C=CC=NC21
InChIInChI=1S/C7H9N3/c1-10-5-9-6-3-2-4-8-7(6)10/h2-4,7H,5H2,1H3
InChIKeyABLQUJQRGLIODZ-UHFFFAOYSA-N
XLogP0.30
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine (CID 89045341) is 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine is CN1CN=C2C=CC=NC21.
What is the InChIKey of 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine?
The InChIKey is ABLQUJQRGLIODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-10-5-9-6-3-2-4-8-7(6)10/h2-4,7H,5H2,1H3.
What are the key properties of 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine?
3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine has a molecular weight of 135.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3a-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 89045341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).