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

C16H14ClF2N3S — CID 46227815

IUPAC6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC1(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1.Cl
InChIInChI=1S/C16H13F2N3S.ClH/c1-16(6-7-16)15-20-19-14-5-3-11(9-21(14)15)22-13-4-2-10(17)8-12(13)18;/h2-5,8-9H,6-7H2,1H3;1H
InChIKeyGUCIUZDOCMFAAG-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.63
Rot. Bonds3

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

6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 46227815) has the molecular formula C16H14ClF2N3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID46227815
Molecular FormulaC16H14ClF2N3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC1(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1.Cl
InChIInChI=1S/C16H13F2N3S.ClH/c1-16(6-7-16)15-20-19-14-5-3-11(9-21(14)15)22-13-4-2-10(17)8-12(13)18;/h2-5,8-9H,6-7H2,1H3;1H
InChIKeyGUCIUZDOCMFAAG-UHFFFAOYSA-N
XLogP4.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 46227815) is 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC1(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1.Cl.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is GUCIUZDOCMFAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3S.ClH/c1-16(6-7-16)15-20-19-14-5-3-11(9-21(14)15)22-13-4-2-10(17)8-12(13)18;/h2-5,8-9H,6-7H2,1H3;1H.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 353.83 g/mol, XLogP of 4.63, 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-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 46227815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).