3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H15F3N4 — CID 83070733

IUPAC3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCC1(c2nnc3ccc(C(F)(F)F)cn23)CCCN1
InChIInChI=1S/C13H15F3N4/c1-2-12(6-3-7-17-12)11-19-18-10-5-4-9(8-20(10)11)13(14,15)16/h4-5,8,17H,2-3,6-7H2,1H3
InChIKeyWZEDSBQOYUILKV-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.74
Rot. Bonds2

About 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83070733) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83070733
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCC1(c2nnc3ccc(C(F)(F)F)cn23)CCCN1
InChIInChI=1S/C13H15F3N4/c1-2-12(6-3-7-17-12)11-19-18-10-5-4-9(8-20(10)11)13(14,15)16/h4-5,8,17H,2-3,6-7H2,1H3
InChIKeyWZEDSBQOYUILKV-UHFFFAOYSA-N
XLogP2.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 83070733) is 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CCC1(c2nnc3ccc(C(F)(F)F)cn23)CCCN1.
What is the InChIKey of 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WZEDSBQOYUILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-12(6-3-7-17-12)11-19-18-10-5-4-9(8-20(10)11)13(14,15)16/h4-5,8,17H,2-3,6-7H2,1H3.
What are the key properties of 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 284.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83070733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).