2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine

C11H10F3N5 — CID 121183769

IUPAC2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CC(n3ccnn3)C2)nc1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)8-1-2-10(15-5-8)18-6-9(7-18)19-4-3-16-17-19/h1-5,9H,6-7H2
InChIKeyQGLLBFSYHJKUCO-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.75
Rot. Bonds2

About 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine

2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 121183769) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID121183769
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CC(n3ccnn3)C2)nc1
InChIInChI=1S/C11H10F3N5/c12-11(13,14)8-1-2-10(15-5-8)18-6-9(7-18)19-4-3-16-17-19/h1-5,9H,6-7H2
InChIKeyQGLLBFSYHJKUCO-UHFFFAOYSA-N
XLogP1.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
CID 121183762
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine
CID 146074620
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
CID 95590464
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355

Frequently Asked Questions

What is the IUPAC name of 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine (CID 121183769) is 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CC(n3ccnn3)C2)nc1.
What is the InChIKey of 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is QGLLBFSYHJKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c12-11(13,14)8-1-2-10(15-5-8)18-6-9(7-18)19-4-3-16-17-19/h1-5,9H,6-7H2.
What are the key properties of 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 269.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 121183769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).