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

C15H13Cl2F2N3S — CID 68958262

IUPAC7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C15H12ClF2N3S.ClH/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;1H
InChIKeyPFVMTBJJSKWLSJ-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.36
Rot. Bonds3

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

7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 68958262) has the molecular formula C15H13Cl2F2N3S and a molecular weight of 376.26 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;hydrochloride.

Molecular Properties

Compound Name7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID68958262
Molecular FormulaC15H13Cl2F2N3S
Molecular Weight376.26 g/mol
Exact Mass375.02
IUPAC Name7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12.Cl
InChIInChI=1S/C15H12ClF2N3S.ClH/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;1H
InChIKeyPFVMTBJJSKWLSJ-UHFFFAOYSA-N
XLogP5.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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;hydrochloride?
The IUPAC name of 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 68958262) is 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
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;hydrochloride?
The canonical SMILES for 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)cn12.Cl.
What is the InChIKey of 7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is PFVMTBJJSKWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3S.ClH/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;1H.
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;hydrochloride?
7-chloro-6-(2,4-difluorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 376.26 g/mol, XLogP of 5.36, 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;hydrochloride is sourced from PubChem (CID 68958262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).