N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C15H14F4N4O — CID 154822152

IUPACN-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1F)C1CCc2ncnn2C1
InChIInChI=1S/C15H14F4N4O/c16-13-9(2-1-3-11(13)15(17,18)19)6-20-14(24)10-4-5-12-21-8-22-23(12)7-10/h1-3,8,10H,4-7H2,(H,20,24)
InChIKeyZPQFLMXQEPBSNJ-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.31
Rot. Bonds3

About N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 154822152) has the molecular formula C15H14F4N4O and a molecular weight of 342.30 g/mol. Its IUPAC name is N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID154822152
Molecular FormulaC15H14F4N4O
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC NameN-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1F)C1CCc2ncnn2C1
InChIInChI=1S/C15H14F4N4O/c16-13-9(2-1-3-11(13)15(17,18)19)6-20-14(24)10-4-5-12-21-8-22-23(12)7-10/h1-3,8,10H,4-7H2,(H,20,24)
InChIKeyZPQFLMXQEPBSNJ-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157020423
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154571332
N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154822643
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155503661
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155913485
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24816652
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-(2-(18F)fluoroethyl)-5-oxopyrrolidine-2-carboxamide
CID 162536141
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95115555

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 154822152) is N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1F)C1CCc2ncnn2C1.
What is the InChIKey of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is ZPQFLMXQEPBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4O/c16-13-9(2-1-3-11(13)15(17,18)19)6-20-14(24)10-4-5-12-21-8-22-23(12)7-10/h1-3,8,10H,4-7H2,(H,20,24).
What are the key properties of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 342.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 154822152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).