3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

C16H16ClF2N3S — CID 46227814

IUPAC3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C16H15F2N3S.ClH/c1-16(2,3)15-20-19-14-7-5-11(9-21(14)15)22-13-6-4-10(17)8-12(13)18;/h4-9H,1-3H3;1H
InChIKeyHUNXBGKWXGUOOS-UHFFFAOYSA-N
MW355.84 g/mol
LogP4.88
Rot. Bonds2

About 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 46227814) has the molecular formula C16H16ClF2N3S and a molecular weight of 355.84 g/mol. Its IUPAC name is 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID46227814
Molecular FormulaC16H16ClF2N3S
Molecular Weight355.84 g/mol
Exact Mass355.07
IUPAC Name3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C16H15F2N3S.ClH/c1-16(2,3)15-20-19-14-7-5-11(9-21(14)15)22-13-6-4-10(17)8-12(13)18;/h4-9H,1-3H3;1H
InChIKeyHUNXBGKWXGUOOS-UHFFFAOYSA-N
XLogP4.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride with MolForge

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Related Compounds

6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
3-[Chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazin-6-yl 2-pyridinyl sulfide
CID 5165902
6-((3-Fluorobenzyl)thio)-3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190718
3-(4-Fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 726694
3-Tert-butyl-6-(2,4-difluorophenylthio)-[1,2,4]triazolo[4,3-a]pyridine hydrochloride
CID 11702482
5-Chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 11717079
7-Chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 46226944
6-(2,4-Difluorophenyl)sulfanyl-3-(4-ethenyl-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46226948
6-(2,4-Difluorophenyl)sulfanyl-3-(2-methylpent-4-en-2-yl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227809
6-[(2,4-Difluorophenyl)thio]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine hydrochloride
CID 46227812
6-(2,4-Difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227815
Ruzadolane
CID 65925

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 46227814) is 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12.Cl.
What is the InChIKey of 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is HUNXBGKWXGUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3S.ClH/c1-16(2,3)15-20-19-14-7-5-11(9-21(14)15)22-13-6-4-10(17)8-12(13)18;/h4-9H,1-3H3;1H.
What are the key properties of 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 46227814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).