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

C15H14ClF2N3S — CID 46227812

IUPAC6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C15H13F2N3S.ClH/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17;/h3-9H,1-2H3;1H
InChIKeyYVKDKDPVFHFMDD-UHFFFAOYSA-N
MW341.81 g/mol
LogP4.70
Rot. Bonds3

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

6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 46227812) has the molecular formula C15H14ClF2N3S and a molecular weight of 341.81 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID46227812
Molecular FormulaC15H14ClF2N3S
Molecular Weight341.81 g/mol
Exact Mass341.06
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C15H13F2N3S.ClH/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17;/h3-9H,1-2H3;1H
InChIKeyYVKDKDPVFHFMDD-UHFFFAOYSA-N
XLogP4.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[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)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227815
Pentafluoro-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-lambda6-sulfane
CID 87206909
3-Thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 1243259

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 46227812) is 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12.Cl.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is YVKDKDPVFHFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3S.ClH/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17;/h3-9H,1-2H3;1H.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 4.70, 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-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 46227812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).