3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine

C12H7F3N4 — CID 13359275

IUPAC3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-3-5-9(6-4-8)19-11-10(17-18-19)2-1-7-16-11/h1-7H
InChIKeyPLWPGZVMLSEOQA-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.83
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine

3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine (PubChem CID 13359275) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine
PubChem CID13359275
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(-n2nnc3cccnc32)cc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-3-5-9(6-4-8)19-11-10(17-18-19)2-1-7-16-11/h1-7H
InChIKeyPLWPGZVMLSEOQA-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
CID 169173168
1-pyridin-4-yl-5-(trifluoromethyl)benzotriazole
CID 134298648
N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067502
benzene;ethane;1-[4-(triazolo[4,5-b]pyridin-3-yl)phenyl]butan-1-one;yttrium
CID 158714769
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006189
4-(chloromethyl)-5-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]triazole
CID 56769776
[5-tert-butyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769261
N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 167238457
pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 53069710
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006218

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine (CID 13359275) is 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine is FC(F)(F)c1ccc(-n2nnc3cccnc32)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine?
The InChIKey is PLWPGZVMLSEOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)8-3-5-9(6-4-8)19-11-10(17-18-19)2-1-7-16-11/h1-7H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine?
3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine has a molecular weight of 264.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine is sourced from PubChem (CID 13359275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).