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

C15H12ClF2N3S — CID 46226944

IUPAC7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12
InChIInChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-14-6-10(16)13(7-21(14)15)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3
InChIKeyXDRMSWQNHWHORV-UHFFFAOYSA-N
MW339.80 g/mol
LogP4.94
Rot. Bonds3

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

7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46226944) has the molecular formula C15H12ClF2N3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46226944
Molecular FormulaC15H12ClF2N3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12
InChIInChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-14-6-10(16)13(7-21(14)15)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3
InChIKeyXDRMSWQNHWHORV-UHFFFAOYSA-N
XLogP4.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-[Chloro(difluoro)methyl][1,2,4]triazolo[4,3-b]pyridazin-6-yl 2-pyridinyl sulfide
CID 5165902
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
3-Cyclohexyl-8-[(2,6-dichlorophenyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 15953467
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
3-[(2-Chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 2084294
3-(2,4-Difluorophenyl)-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46226942
3-Tert-butyl-6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227814
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 2622700
5-Bromo-7-chloro-6-(2,4-difluorophenylthio)-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 11575331

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 46226944) is 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12.
What is the InChIKey of 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XDRMSWQNHWHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3S/c1-8(2)15-20-19-14-6-10(16)13(7-21(14)15)22-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3.
What are the key properties of 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 339.80 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46226944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).