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

C15H13Cl2N3S — CID 46226973

IUPAC6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12
InChIInChI=1S/C15H13Cl2N3S/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
InChIKeyMYHZRLXXLQZZEF-UHFFFAOYSA-N
MW338.26 g/mol
LogP5.31
Rot. Bonds3

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

6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46226973) has the molecular formula C15H13Cl2N3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46226973
Molecular FormulaC15H13Cl2N3S
Molecular Weight338.26 g/mol
Exact Mass337.02
IUPAC Name6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12
InChIInChI=1S/C15H13Cl2N3S/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
InChIKeyMYHZRLXXLQZZEF-UHFFFAOYSA-N
XLogP5.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.26
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 46226973) is 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12.
What is the InChIKey of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MYHZRLXXLQZZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S/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.
What are the key properties of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 338.26 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46226973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).