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

C15H16FN3O2 — CID 62936138

IUPAC2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cc1ccc(F)cc1)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H16FN3O2/c16-12-6-4-11(5-7-12)9-13(20)10-19-15(21)18-8-2-1-3-14(18)17-19/h4-7H,1-3,8-10H2
InChIKeyRWQIBCFIKGOEGS-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.33
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936138) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936138
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cc1ccc(F)cc1)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H16FN3O2/c16-12-6-4-11(5-7-12)9-13(20)10-19-15(21)18-8-2-1-3-14(18)17-19/h4-7H,1-3,8-10H2
InChIKeyRWQIBCFIKGOEGS-UHFFFAOYSA-N
XLogP1.33
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.33
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)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936138) is 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(Cc1ccc(F)cc1)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RWQIBCFIKGOEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-6-4-11(5-7-12)9-13(20)10-19-15(21)18-8-2-1-3-14(18)17-19/h4-7H,1-3,8-10H2.
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(4-fluorophenyl)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.31 g/mol, XLogP of 1.33, 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)-2-oxopropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).