2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C13H10FN3O — CID 117132611

IUPAC2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Cc3cccc(F)c3)[nH]n12
InChIInChI=1S/C13H10FN3O/c14-10-4-1-3-9(7-10)8-11-15-12-5-2-6-13(18)17(12)16-11/h1-7H,8H2,(H,15,16)
InChIKeyYTCGGPXWCHMTPW-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.75
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132611) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132611
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(Cc3cccc(F)c3)[nH]n12
InChIInChI=1S/C13H10FN3O/c14-10-4-1-3-9(7-10)8-11-15-12-5-2-6-13(18)17(12)16-11/h1-7H,8H2,(H,15,16)
InChIKeyYTCGGPXWCHMTPW-UHFFFAOYSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132611) is 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(Cc3cccc(F)c3)[nH]n12.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is YTCGGPXWCHMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-4-1-3-9(7-10)8-11-15-12-5-2-6-13(18)17(12)16-11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 243.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).