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

C13H12N6O3S — CID 160594113

IUPAC2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C13H12N6O3S/c1-9-5-10(6-12(16-9)23(2,20)21)13-14-7-19(18-13)4-3-11-17-15-8-22-11/h3-8H,1-2H3/b4-3-
InChIKeyCKHJDWPUEVULIG-ARJAWSKDSA-N
MW332.35 g/mol
LogP1.06
Rot. Bonds4

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

2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 160594113) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID160594113
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC Name2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C13H12N6O3S/c1-9-5-10(6-12(16-9)23(2,20)21)13-14-7-19(18-13)4-3-11-17-15-8-22-11/h3-8H,1-2H3/b4-3-
InChIKeyCKHJDWPUEVULIG-ARJAWSKDSA-N
XLogP1.06
TPSA116.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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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-methylsulfonyl-6-(trifluoromethyl)pyridin-4-yl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
CID 134366080
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
6-methyl-4-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
CID 159322844

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 160594113) is 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-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-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is Cc1cc(-c2ncn(/C=C\c3nnco3)n2)cc(S(C)(=O)=O)n1.
What is the InChIKey of 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is CKHJDWPUEVULIG-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H12N6O3S/c1-9-5-10(6-12(16-9)23(2,20)21)13-14-7-19(18-13)4-3-11-17-15-8-22-11/h3-8H,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-(2-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 332.35 g/mol, XLogP of 1.06, 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-methyl-6-methylsulfonyl-4-pyridinyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 160594113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).