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

C15H12FN3O2 — CID 62019745

IUPAC2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(CCn1nc2ccccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-6-4-11(5-7-12)13(20)8-10-19-15(21)18-9-2-1-3-14(18)17-19/h1-7,9H,8,10H2
InChIKeyATGPUZUMMUELNB-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.91
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62019745) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62019745
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(CCn1nc2ccccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-6-4-11(5-7-12)13(20)8-10-19-15(21)18-9-2-1-3-14(18)17-19/h1-7,9H,8,10H2
InChIKeyATGPUZUMMUELNB-UHFFFAOYSA-N
XLogP1.91
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62019745) is 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(CCn1nc2ccccn2c1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ATGPUZUMMUELNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-6-4-11(5-7-12)13(20)8-10-19-15(21)18-9-2-1-3-14(18)17-19/h1-7,9H,8,10H2.
What are the key properties of 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 285.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62019745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).