6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

C15H13ClF3N3S — CID 11523338

IUPAC6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2cc(F)c(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C15H12F3N3S.ClH/c1-8(2)15-20-19-14-6-11(18)13(7-21(14)15)22-12-4-3-9(16)5-10(12)17;/h3-8H,1-2H3;1H
InChIKeyPRXBTHZAQWGDDT-UHFFFAOYSA-N
MW359.80 g/mol
LogP4.84
Rot. Bonds3

About 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 11523338) has the molecular formula C15H13ClF3N3S and a molecular weight of 359.80 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID11523338
Molecular FormulaC15H13ClF3N3S
Molecular Weight359.80 g/mol
Exact Mass359.05
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2cc(F)c(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C15H12F3N3S.ClH/c1-8(2)15-20-19-14-6-11(18)13(7-21(14)15)22-12-4-3-9(16)5-10(12)17;/h3-8H,1-2H3;1H
InChIKeyPRXBTHZAQWGDDT-UHFFFAOYSA-N
XLogP4.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 11523338) is 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC(C)c1nnc2cc(F)c(Sc3ccc(F)cc3F)cn12.Cl.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is PRXBTHZAQWGDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S.ClH/c1-8(2)15-20-19-14-6-11(18)13(7-21(14)15)22-12-4-3-9(16)5-10(12)17;/h3-8H,1-2H3;1H.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 359.80 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanyl-7-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 11523338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).