8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H9FN6 — CID 166941689

IUPAC8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1cc(-c2c[nH]c3ncc(F)cc23)c2nncn2c1
InChIInChI=1S/C13H9FN6/c14-7-1-9-11(4-17-12(9)16-3-7)10-2-8(15)5-20-6-18-19-13(10)20/h1-6H,15H2,(H,16,17)
InChIKeyBDIVRSHXTNYBSB-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.99
Rot. Bonds1

About 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 166941689) has the molecular formula C13H9FN6 and a molecular weight of 268.25 g/mol. Its IUPAC name is 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID166941689
Molecular FormulaC13H9FN6
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1cc(-c2c[nH]c3ncc(F)cc23)c2nncn2c1
InChIInChI=1S/C13H9FN6/c14-7-1-9-11(4-17-12(9)16-3-7)10-2-8(15)5-20-6-18-19-13(10)20/h1-6H,15H2,(H,16,17)
InChIKeyBDIVRSHXTNYBSB-UHFFFAOYSA-N
XLogP1.99
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 166941689) is 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1cc(-c2c[nH]c3ncc(F)cc23)c2nncn2c1.
What is the InChIKey of 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is BDIVRSHXTNYBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6/c14-7-1-9-11(4-17-12(9)16-3-7)10-2-8(15)5-20-6-18-19-13(10)20/h1-6H,15H2,(H,16,17).
What are the key properties of 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 268.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 166941689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).