2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C16H16F4N4O2 — CID 121022000

IUPAC2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C16H16F4N4O2/c17-11-3-1-2-4-12(11)26-9-15(25)21-7-14-23-22-13-6-5-10(8-24(13)14)16(18,19)20/h1-4,10H,5-9H2,(H,21,25)
InChIKeyXZQKAFKKPUVCBD-UHFFFAOYSA-N
MW372.32 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 121022000) has the molecular formula C16H16F4N4O2 and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID121022000
Molecular FormulaC16H16F4N4O2
Molecular Weight372.32 g/mol
Exact Mass372.12
IUPAC Name2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C16H16F4N4O2/c17-11-3-1-2-4-12(11)26-9-15(25)21-7-14-23-22-13-6-5-10(8-24(13)14)16(18,19)20/h1-4,10H,5-9H2,(H,21,25)
InChIKeyXZQKAFKKPUVCBD-UHFFFAOYSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 121022006
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 119104825
7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 119104814
5-methyl-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129353221
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 119104829
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110488062
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 121022000) is 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(COc1ccccc1F)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is XZQKAFKKPUVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O2/c17-11-3-1-2-4-12(11)26-9-15(25)21-7-14-23-22-13-6-5-10(8-24(13)14)16(18,19)20/h1-4,10H,5-9H2,(H,21,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 372.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 121022000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).