8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C6H4FN3O — CID 55266276

IUPAC8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2c(F)cccn12
InChIInChI=1S/C6H4FN3O/c7-4-2-1-3-10-5(4)8-9-6(10)11/h1-3H,(H,9,11)
InChIKeyIIKJUAKLEKFBHX-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.16
Rot. Bonds

About 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55266276) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55266276
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2c(F)cccn12
InChIInChI=1S/C6H4FN3O/c7-4-2-1-3-10-5(4)8-9-6(10)11/h1-3H,(H,9,11)
InChIKeyIIKJUAKLEKFBHX-UHFFFAOYSA-N
XLogP0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55266276) is 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1[nH]nc2c(F)cccn12.
What is the InChIKey of 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IIKJUAKLEKFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c7-4-2-1-3-10-5(4)8-9-6(10)11/h1-3H,(H,9,11).
What are the key properties of 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 153.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55266276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).