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

C13H9F3N6O3S — CID 134366080

IUPAC2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O3S/c1-26(23,24)11-5-8(4-9(19-11)13(14,15)16)12-17-6-22(21-12)3-2-10-20-18-7-25-10/h2-7H,1H3/b3-2-
InChIKeyNTFPYBRRAOHWHD-IHWYPQMZSA-N
MW386.32 g/mol
LogP1.77
Rot. Bonds4

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

2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 134366080) has the molecular formula C13H9F3N6O3S and a molecular weight of 386.32 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID134366080
Molecular FormulaC13H9F3N6O3S
Molecular Weight386.32 g/mol
Exact Mass386.04
IUPAC Name2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N6O3S/c1-26(23,24)11-5-8(4-9(19-11)13(14,15)16)12-17-6-22(21-12)3-2-10-20-18-7-25-10/h2-7H,1H3/b3-2-
InChIKeyNTFPYBRRAOHWHD-IHWYPQMZSA-N
XLogP1.77
TPSA116.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (Z)-3-[3-[2-methylsulfonyl-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 53386288
Propan-2-yl 3-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]prop-2-enoate
CID 76031333
2-[(Z)-2-[3-[2,6-bis(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 134366078
2-[(Z)-2-[3-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 159322845
2-[(Z)-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 70847606
propan-2-yl (Z)-3-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]prop-2-enoate
CID 89756235
2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 160594113

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 134366080) is 2-[(Z)-2-[3-[2-methylsulfonyl-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-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is CS(=O)(=O)c1cc(-c2ncn(/C=C\c3nnco3)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is NTFPYBRRAOHWHD-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H9F3N6O3S/c1-26(23,24)11-5-8(4-9(19-11)13(14,15)16)12-17-6-22(21-12)3-2-10-20-18-7-25-10/h2-7H,1H3/b3-2-.
What are the key properties of 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 386.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[2-methylsulfonyl-6-(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 134366080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).