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

C11H12F2N4O3 — CID 103769655

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCC(O)C(F)F
InChIInChI=1S/C11H12F2N4O3/c12-10(13)7(18)5-14-9(19)6-17-11(20)16-4-2-1-3-8(16)15-17/h1-4,7,10,18H,5-6H2,(H,14,19)
InChIKeyKHLVGSJPJDGZQD-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.76
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 103769655) has the molecular formula C11H12F2N4O3 and a molecular weight of 286.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID103769655
Molecular FormulaC11H12F2N4O3
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCC(O)C(F)F
InChIInChI=1S/C11H12F2N4O3/c12-10(13)7(18)5-14-9(19)6-17-11(20)16-4-2-1-3-8(16)15-17/h1-4,7,10,18H,5-6H2,(H,14,19)
InChIKeyKHLVGSJPJDGZQD-UHFFFAOYSA-N
XLogP-0.76
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 103769655) is N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is KHLVGSJPJDGZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O3/c12-10(13)7(18)5-14-9(19)6-17-11(20)16-4-2-1-3-8(16)15-17/h1-4,7,10,18H,5-6H2,(H,14,19).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 286.24 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 103769655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).