2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C11H11F3N4O3 — CID 103730619

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)7(19)5-15-9(20)6-18-10(21)17-4-2-1-3-8(17)16-18/h1-4,7,19H,5-6H2,(H,15,20)
InChIKeyNLIODXIJMAOENM-UHFFFAOYSA-N
MW304.23 g/mol
LogP-0.46
Rot. Bonds4

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103730619) has the molecular formula C11H11F3N4O3 and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103730619
Molecular FormulaC11H11F3N4O3
Molecular Weight304.23 g/mol
Exact Mass304.08
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)7(19)5-15-9(20)6-18-10(21)17-4-2-1-3-8(17)16-18/h1-4,7,19H,5-6H2,(H,15,20)
InChIKeyNLIODXIJMAOENM-UHFFFAOYSA-N
XLogP-0.46
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103730619) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cn1nc2ccccn2c1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is NLIODXIJMAOENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3/c12-11(13,14)7(19)5-15-9(20)6-18-10(21)17-4-2-1-3-8(17)16-18/h1-4,7,19H,5-6H2,(H,15,20).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 304.23 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103730619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).