2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine

C13H9F3N4O3S — CID 12991483

IUPAC2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccco2)nc1
InChIInChI=1S/C13H9F3N4O3S/c1-24(21,22)8-4-5-10(17-7-8)20-11(9-3-2-6-23-9)18-12(19-20)13(14,15)16/h2-7H,1H3
InChIKeyIZLPZGXMPUYHPD-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.34
Rot. Bonds3

About 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine

2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 12991483) has the molecular formula C13H9F3N4O3S and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
PubChem CID12991483
Molecular FormulaC13H9F3N4O3S
Molecular Weight358.30 g/mol
Exact Mass358.03
IUPAC Name2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccco2)nc1
InChIInChI=1S/C13H9F3N4O3S/c1-24(21,22)8-4-5-10(17-7-8)20-11(9-3-2-6-23-9)18-12(19-20)13(14,15)16/h2-7H,1H3
InChIKeyIZLPZGXMPUYHPD-UHFFFAOYSA-N
XLogP2.34
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine (CID 12991483) is 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccco2)nc1.
What is the InChIKey of 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is IZLPZGXMPUYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O3S/c1-24(21,22)8-4-5-10(17-7-8)20-11(9-3-2-6-23-9)18-12(19-20)13(14,15)16/h2-7H,1H3.
What are the key properties of 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 358.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 12991483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).