2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine

C10H9F3N4S — CID 36653271

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCCc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1
InChIInChI=1S/C10H9F3N4S/c1-2-7-15-9(17-16-7)18-8-4-3-6(5-14-8)10(11,12)13/h3-5H,2H2,1H3,(H,15,16,17)
InChIKeyVLFLVYNJLXKQHJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.93
Rot. Bonds3

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 36653271) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID36653271
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCCc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1
InChIInChI=1S/C10H9F3N4S/c1-2-7-15-9(17-16-7)18-8-4-3-6(5-14-8)10(11,12)13/h3-5H,2H2,1H3,(H,15,16,17)
InChIKeyVLFLVYNJLXKQHJ-UHFFFAOYSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine (CID 36653271) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine is CCc1nc(Sc2ccc(C(F)(F)F)cn2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is VLFLVYNJLXKQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c1-2-7-15-9(17-16-7)18-8-4-3-6(5-14-8)10(11,12)13/h3-5H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 274.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 36653271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).