2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine

C9H12N4 — CID 59533509

IUPAC2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
SMILESCc1nc2ncc(CCN)cc2[nH]1
InChIInChI=1S/C9H12N4/c1-6-12-8-4-7(2-3-10)5-11-9(8)13-6/h4-5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyJJUPMINYFWUFKO-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine

2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine (PubChem CID 59533509) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
PubChem CID59533509
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
SMILESCc1nc2ncc(CCN)cc2[nH]1
InChIInChI=1S/C9H12N4/c1-6-12-8-4-7(2-3-10)5-11-9(8)13-6/h4-5H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyJJUPMINYFWUFKO-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine (CID 59533509) is 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine is Cc1nc2ncc(CCN)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine?
The InChIKey is JJUPMINYFWUFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-12-8-4-7(2-3-10)5-11-9(8)13-6/h4-5H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine?
2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine is sourced from PubChem (CID 59533509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).