3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide

C16H14F3N5O2 — CID 126776902

IUPAC3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cnc2c(c1)nnn2C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3N5O2/c1-9(10-3-5-12(6-4-10)26-16(17,18)19)21-15(25)11-7-13-14(20-8-11)24(2)23-22-13/h3-9H,1-2H3,(H,21,25)
InChIKeyRKSPLYHQIMSUSQ-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.75
Rot. Bonds4

About 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 126776902) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID126776902
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cnc2c(c1)nnn2C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3N5O2/c1-9(10-3-5-12(6-4-10)26-16(17,18)19)21-15(25)11-7-13-14(20-8-11)24(2)23-22-13/h3-9H,1-2H3,(H,21,25)
InChIKeyRKSPLYHQIMSUSQ-UHFFFAOYSA-N
XLogP2.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
3-methyl-N-[(1R)-2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 99801014
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 55852205
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrole-2-carboxamide
CID 87686496
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 26111659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide (CID 126776902) is 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide is CC(NC(=O)c1cnc2c(c1)nnn2C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is RKSPLYHQIMSUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-9(10-3-5-12(6-4-10)26-16(17,18)19)21-15(25)11-7-13-14(20-8-11)24(2)23-22-13/h3-9H,1-2H3,(H,21,25).
What are the key properties of 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 126776902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).