3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H9Cl2N3S — CID 2622703

IUPAC3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(Cl)c1CSc1nnc2ccccn12
InChIInChI=1S/C13H9Cl2N3S/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12-6-1-2-7-18(12)13/h1-7H,8H2
InChIKeyRVNLFMZPAGBSNC-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.33
Rot. Bonds3

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

3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 2622703) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID2622703
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(Cl)c1CSc1nnc2ccccn12
InChIInChI=1S/C13H9Cl2N3S/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12-6-1-2-7-18(12)13/h1-7H,8H2
InChIKeyRVNLFMZPAGBSNC-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 2622703) is 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc(Cl)c1CSc1nnc2ccccn12.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is RVNLFMZPAGBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12-6-1-2-7-18(12)13/h1-7H,8H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2,6-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-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 2622703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).