2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C13H6F6N6O — CID 134366078

IUPAC2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H6F6N6O/c14-12(15,16)8-3-7(4-9(22-8)13(17,18)19)11-20-5-25(24-11)2-1-10-23-21-6-26-10/h1-6H/b2-1-
InChIKeyHOAICRBCAXICSW-UPHRSURJSA-N
MW376.22 g/mol
LogP3.39
Rot. Bonds3

About 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 134366078) has the molecular formula C13H6F6N6O and a molecular weight of 376.22 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID134366078
Molecular FormulaC13H6F6N6O
Molecular Weight376.22 g/mol
Exact Mass376.05
IUPAC Name2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H6F6N6O/c14-12(15,16)8-3-7(4-9(22-8)13(17,18)19)11-20-5-25(24-11)2-1-10-23-21-6-26-10/h1-6H/b2-1-
InChIKeyHOAICRBCAXICSW-UPHRSURJSA-N
XLogP3.39
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(Z)-2-(2-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole
CID 57519758
2-[(Z)-2-[3-[2-methoxy-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 57524119
2-[2-[(2-Fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3,4-oxadiazole
CID 69281051
2-[2-[3-[2-Methoxy-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 70814905
(Z)-3-(3-(2,6-bis(trifluoromethyl)pyridin-4-yl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
CID 71493651
2-[2-[3-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 76553592
3-[3-[2,6-Bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
CID 77992970
(Z)-1-(3,3-difluoroazetidin-1-yl)-3-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-en-1-one
CID 122518066
(Z)-1-(3,3-difluoroazetidin-1-yl)-3-[3-[2-(fluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-en-1-one
CID 122518471
4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134366074
2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 134366080
2-[(E)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]-1-pyrimidin-5-ylethenyl]-1,3,4-oxadiazole
CID 168984135

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 134366078) is 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is FC(F)(F)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is HOAICRBCAXICSW-UPHRSURJSA-N. The full InChI is InChI=1S/C13H6F6N6O/c14-12(15,16)8-3-7(4-9(22-8)13(17,18)19)11-20-5-25(24-11)2-1-10-23-21-6-26-10/h1-6H/b2-1-.
What are the key properties of 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 376.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 134366078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).