2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H14FN3O2 — CID 62936992

IUPAC2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2n(c1=O)CCCC2)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O2/c15-11-5-3-4-10(8-11)12(19)9-18-14(20)17-7-2-1-6-13(17)16-18/h3-5,8H,1-2,6-7,9H2
InChIKeyMEIWXBHBYNNHIF-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.40
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936992) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936992
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2n(c1=O)CCCC2)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O2/c15-11-5-3-4-10(8-11)12(19)9-18-14(20)17-7-2-1-6-13(17)16-18/h3-5,8H,1-2,6-7,9H2
InChIKeyMEIWXBHBYNNHIF-UHFFFAOYSA-N
XLogP1.40
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936992) is 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(Cn1nc2n(c1=O)CCCC2)c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MEIWXBHBYNNHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-5-3-4-10(8-11)12(19)9-18-14(20)17-7-2-1-6-13(17)16-18/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 275.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).