6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H10Cl3N3OS — CID 29180084

IUPAC6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)c1
InChIInChI=1S/C14H10Cl3N3OS/c15-9-2-1-3-11(6-9)21-4-5-22-14-19-18-13-12(17)7-10(16)8-20(13)14/h1-3,6-8H,4-5H2
InChIKeyGWRHLROKZLIBEM-UHFFFAOYSA-N
MW374.68 g/mol
LogP4.86
Rot. Bonds5

About 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 29180084) has the molecular formula C14H10Cl3N3OS and a molecular weight of 374.68 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID29180084
Molecular FormulaC14H10Cl3N3OS
Molecular Weight374.68 g/mol
Exact Mass372.96
IUPAC Name6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)c1
InChIInChI=1S/C14H10Cl3N3OS/c15-9-2-1-3-11(6-9)21-4-5-22-14-19-18-13-12(17)7-10(16)8-20(13)14/h1-3,6-8H,4-5H2
InChIKeyGWRHLROKZLIBEM-UHFFFAOYSA-N
XLogP4.86
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.68
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 16541076
3-[2-(3-chlorophenoxy)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazole
CID 47094897
3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 16509746
3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-4-amine
CID 16544682
3-[5-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 35790440
3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 31651123
(2R)-1-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-3-(4-phenylphenoxy)propan-2-ol
CID 41404739
1-(4-chlorophenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethanone
CID 29180949
N-carbamoyl-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 47135677
1-[2-(3-chlorophenoxy)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 35195442
3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole
CID 42976818
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole
CID 60563953

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 29180084) is 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)c1.
What is the InChIKey of 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GWRHLROKZLIBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3OS/c15-9-2-1-3-11(6-9)21-4-5-22-14-19-18-13-12(17)7-10(16)8-20(13)14/h1-3,6-8H,4-5H2.
What are the key properties of 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 374.68 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-(3-chlorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 29180084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).