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

C13H10FN3O — CID 115579366

IUPAC2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccccc2F)nc2ccccn12
InChIInChI=1S/C13H10FN3O/c14-11-6-2-1-5-10(11)9-17-13(18)16-8-4-3-7-12(16)15-17/h1-8H,9H2
InChIKeyUWWSMGFMWCNECM-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.68
Rot. Bonds2

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

2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115579366) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115579366
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccccc2F)nc2ccccn12
InChIInChI=1S/C13H10FN3O/c14-11-6-2-1-5-10(11)9-17-13(18)16-8-4-3-7-12(16)15-17/h1-8H,9H2
InChIKeyUWWSMGFMWCNECM-UHFFFAOYSA-N
XLogP1.68
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-6-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63330809
2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile
CID 103912270
2-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579355
2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75431413
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide
CID 63577897
2-[[2-(aminomethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62893991
2-[(3-chloro-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618625
2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
CID 106698772
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92846206
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile
CID 154773595
2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618638

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115579366) is 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2ccccc2F)nc2ccccn12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is UWWSMGFMWCNECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-11-6-2-1-5-10(11)9-17-13(18)16-8-4-3-7-12(16)15-17/h1-8H,9H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 243.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115579366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).