6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C16H15F2N3S — CID 11681275

IUPAC6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(Sc2ccc(F)cc2F)ccc2nnc(C(C)C)n12
InChIInChI=1S/C16H15F2N3S/c1-9(2)16-20-19-15-7-6-13(10(3)21(15)16)22-14-5-4-11(17)8-12(14)18/h4-9H,1-3H3
InChIKeyMOKZGLCEZSIGFH-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.59
Rot. Bonds3

About 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11681275) has the molecular formula C16H15F2N3S and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11681275
Molecular FormulaC16H15F2N3S
Molecular Weight319.38 g/mol
Exact Mass319.10
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(Sc2ccc(F)cc2F)ccc2nnc(C(C)C)n12
InChIInChI=1S/C16H15F2N3S/c1-9(2)16-20-19-15-7-6-13(10(3)21(15)16)22-14-5-4-11(17)8-12(14)18/h4-9H,1-3H3
InChIKeyMOKZGLCEZSIGFH-UHFFFAOYSA-N
XLogP4.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.59
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-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 11681275) is 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(Sc2ccc(F)cc2F)ccc2nnc(C(C)C)n12.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MOKZGLCEZSIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3S/c1-9(2)16-20-19-15-7-6-13(10(3)21(15)16)22-14-5-4-11(17)8-12(14)18/h4-9H,1-3H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-(2,4-difluorophenyl)sulfanyl-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 319.38 g/mol, XLogP of 4.59, 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-5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 11681275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).