3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H9Cl2N3S — CID 2622698

IUPAC3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(CSc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3S/c14-10-5-4-9(11(15)7-10)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2
InChIKeyYCKHCNYHZOSWGK-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.33
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 2622698) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID2622698
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(CSc2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3S/c14-10-5-4-9(11(15)7-10)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2
InChIKeyYCKHCNYHZOSWGK-UHFFFAOYSA-N
XLogP4.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665851
3-[1-(4-Chlorophenyl)cyclopropyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 91039859
6-(3,4-dichlorophenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3796877
4-({[1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl}methyl)benzonitrile
CID 2461523
6-(2,4-Dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662903
3-[(2,6-Dichlorophenyl)methylthio]-4-prop-2-enyl-5-(3-pyridyl)-1,2,4-triazole
CID 1991853
3-Cyclohexyl-8-[(2,6-dichlorophenyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 15953467
3-[1-(4-Chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 118709260
US10287286, Example 1
CID 122540625
3-(2,6-Dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683375
2-[3-(4-Chloro-benzylsulfanyl)-[1,2,4]triazol-4-yl]-pyridine
CID 649856

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 2622698) is 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(CSc2nnc3ccccn23)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YCKHCNYHZOSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-10-5-4-9(11(15)7-10)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 310.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 2622698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).