CAS 1171920-77-6|6-Allyl-3-methyl-3H-imidazo[4,5-b]pyridine|3-methyl-6-(prop-2-en-1-yl)imidazo[4,5-b]pyridine|3-methyl-6-(prop-2-en-1-yl)-3H-imidazo[4,5-b]pyridine|6-Allyl-3-methyl-3H-imidazo[4,5-b]...

General Information

Structure

Molecular Formula

C₁₀H₁₁N₃

Molecular Mass

173.21444

Exact Mass

173.09529737

Charge

InChI

InChI=1S/C10H11N3/c1-3-4-8-5-9-10(11-6-8)13(2)7-12-9/h3,5-7H,1,4H2,2H3

InChIKey

HAIHJGPDLSURFH-UHFFFAOYSA-N

Canonic Smiles

C=CCc1cnc2c(c1)ncn2C

Isomeric Smiles

c1(cnc2c(c1)ncn2C)CC=C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7309933

LogD (pH = 7.4)

1.7315335

Log P

1.7315404

Molar Refractivity

51.9482

Polarizability

20.146456

Polar Surface Area

30.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

6-Allyl-3-methyl-3H-imidazo[4,5-b]pyridine6-Allyl-3-methyl-3H-imidazo[4,5-b]pyridine

IUPAC Traditional name

3-methyl-6-(prop-2-en-1-yl)imidazo[4,5-b]pyridine

IUPAC name

3-methyl-6-(prop-2-en-1-yl)-3H-imidazo[4,5-b]pyridine

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

PubChem CID

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

IRRITANT

TSCA Listed

false

MSDS Link

Download link

Product Information

Empirical Formula (Hill Notation)

C10H11N3

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE001228

Other Notes
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Product of Adesis

Molecule Details

References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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