3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

C18H11Cl2N3S — CID 10248670

IUPAC3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(Sc2ccc3nnc(-c4ccccc4Cl)n3c2)cc1
InChIInChI=1S/C18H11Cl2N3S/c19-12-5-7-13(8-6-12)24-14-9-10-17-21-22-18(23(17)11-14)15-3-1-2-4-16(15)20/h1-11H
InChIKeyJFKKANJFGVRBJQ-UHFFFAOYSA-N
MW372.28 g/mol
LogP5.85
Rot. Bonds3

About 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 10248670) has the molecular formula C18H11Cl2N3S and a molecular weight of 372.28 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID10248670
Molecular FormulaC18H11Cl2N3S
Molecular Weight372.28 g/mol
Exact Mass371.01
IUPAC Name3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(Sc2ccc3nnc(-c4ccccc4Cl)n3c2)cc1
InChIInChI=1S/C18H11Cl2N3S/c19-12-5-7-13(8-6-12)24-14-9-10-17-21-22-18(23(17)11-14)15-3-1-2-4-16(15)20/h1-11H
InChIKeyJFKKANJFGVRBJQ-UHFFFAOYSA-N
XLogP5.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine (CID 10248670) is 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(Sc2ccc3nnc(-c4ccccc4Cl)n3c2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JFKKANJFGVRBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3S/c19-12-5-7-13(8-6-12)24-14-9-10-17-21-22-18(23(17)11-14)15-3-1-2-4-16(15)20/h1-11H.
What are the key properties of 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 372.28 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 10248670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).