6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C13H6F7N5O — CID 134555724

IUPAC6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C13H6F7N5O/c14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20/h1-4H,5H2
InChIKeyZPZSHDXTYXOMFY-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.29
Rot. Bonds3

About 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555724) has the molecular formula C13H6F7N5O and a molecular weight of 381.21 g/mol. Its IUPAC name is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555724
Molecular FormulaC13H6F7N5O
Molecular Weight381.21 g/mol
Exact Mass381.05
IUPAC Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C13H6F7N5O/c14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20/h1-4H,5H2
InChIKeyZPZSHDXTYXOMFY-UHFFFAOYSA-N
XLogP3.29
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555724) is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZPZSHDXTYXOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7N5O/c14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20/h1-4H,5H2.
What are the key properties of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 381.21 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).