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

C15H13F2N3OS — CID 11702517

IUPAC6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(S(=O)c3ccc(F)cc3F)cn12
InChIInChI=1S/C15H13F2N3OS/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)22(21)13-5-3-10(16)7-12(13)17/h3-9H,1-2H3
InChIKeyDUOWALCMAPFRMM-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.30
Rot. Bonds3

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

6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11702517) has the molecular formula C15H13F2N3OS and a molecular weight of 321.35 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11702517
Molecular FormulaC15H13F2N3OS
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(S(=O)c3ccc(F)cc3F)cn12
InChIInChI=1S/C15H13F2N3OS/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)22(21)13-5-3-10(16)7-12(13)17/h3-9H,1-2H3
InChIKeyDUOWALCMAPFRMM-UHFFFAOYSA-N
XLogP3.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.30
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)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 11702517) is 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(S(=O)c3ccc(F)cc3F)cn12.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DUOWALCMAPFRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3OS/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)22(21)13-5-3-10(16)7-12(13)17/h3-9H,1-2H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-(2,4-difluorophenyl)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 321.35 g/mol, XLogP of 3.30, 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)sulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 11702517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).