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

C13H9F3N6O — CID 159322845

IUPAC2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O/c1-8-4-9(5-10(19-8)13(14,15)16)12-17-6-22(21-12)3-2-11-20-18-7-23-11/h2-7H,1H3/b3-2-
InChIKeyJWMZRXZULVRVGP-IHWYPQMZSA-N
MW322.25 g/mol
LogP2.68
Rot. Bonds3

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

2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 159322845) has the molecular formula C13H9F3N6O and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID159322845
Molecular FormulaC13H9F3N6O
Molecular Weight322.25 g/mol
Exact Mass322.08
IUPAC Name2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O/c1-8-4-9(5-10(19-8)13(14,15)16)12-17-6-22(21-12)3-2-11-20-18-7-23-11/h2-7H,1H3/b3-2-
InChIKeyJWMZRXZULVRVGP-IHWYPQMZSA-N
XLogP2.68
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[(Z)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 70847683
(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-Methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 77942083
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
4-[[5-Ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
CID 118903065
(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-[2,6-bis(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 134366078

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 159322845) is 2-[(Z)-2-[3-[2-methyl-6-(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-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is JWMZRXZULVRVGP-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H9F3N6O/c1-8-4-9(5-10(19-8)13(14,15)16)12-17-6-22(21-12)3-2-11-20-18-7-23-11/h2-7H,1H3/b3-2-.
What are the key properties of 2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 322.25 g/mol, XLogP of 2.68, 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-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 159322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).