5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

C14H10F3N5O2S — CID 12991484

IUPAC5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccnc2)nc1
InChIInChI=1S/C14H10F3N5O2S/c1-25(23,24)10-4-5-11(19-8-10)22-12(9-3-2-6-18-7-9)20-13(21-22)14(15,16)17/h2-8H,1H3
InChIKeyJLDAVRBNKFNZGA-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.15
Rot. Bonds3

About 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 12991484) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID12991484
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccnc2)nc1
InChIInChI=1S/C14H10F3N5O2S/c1-25(23,24)10-4-5-11(19-8-10)22-12(9-3-2-6-18-7-9)20-13(21-22)14(15,16)17/h2-8H,1H3
InChIKeyJLDAVRBNKFNZGA-UHFFFAOYSA-N
XLogP2.15
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine (CID 12991484) is 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccnc2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is JLDAVRBNKFNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c1-25(23,24)10-4-5-11(19-8-10)22-12(9-3-2-6-18-7-9)20-13(21-22)14(15,16)17/h2-8H,1H3.
What are the key properties of 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 369.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 12991484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).