2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole

C17H9ClN6OS2 — CID 133488544

IUPAC2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(Sc2ccc3nnc(-c4ccsc4)n3n2)o1
InChIInChI=1S/C17H9ClN6OS2/c18-12-4-2-1-3-11(12)16-21-22-17(25-16)27-14-6-5-13-19-20-15(24(13)23-14)10-7-8-26-9-10/h1-9H
InChIKeyWXGVGLVZWYBIRU-UHFFFAOYSA-N
MW412.89 g/mol
LogP4.71
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole (PubChem CID 133488544) has the molecular formula C17H9ClN6OS2 and a molecular weight of 412.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole
PubChem CID133488544
Molecular FormulaC17H9ClN6OS2
Molecular Weight412.89 g/mol
Exact Mass412.00
IUPAC Name2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(Sc2ccc3nnc(-c4ccsc4)n3n2)o1
InChIInChI=1S/C17H9ClN6OS2/c18-12-4-2-1-3-11(12)16-21-22-17(25-16)27-14-6-5-13-19-20-15(24(13)23-14)10-7-8-26-9-10/h1-9H
InChIKeyWXGVGLVZWYBIRU-UHFFFAOYSA-N
XLogP4.71
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole
CID 133425826
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 133425711
5-methyl-1-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 133488179
6-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488901
3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488799
6-[(3,4-dimethylphenyl)methylsulfanyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133493594
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
6-(4-phenylpiperidin-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133489197
N-(1-benzofuran-2-ylmethyl)-N-methyl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492278
6-(3,5-dimethylphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727433
7-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 23613657
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 34430285

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole (CID 133488544) is 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(Sc2ccc3nnc(-c4ccsc4)n3n2)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole?
The InChIKey is WXGVGLVZWYBIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN6OS2/c18-12-4-2-1-3-11(12)16-21-22-17(25-16)27-14-6-5-13-19-20-15(24(13)23-14)10-7-8-26-9-10/h1-9H.
What are the key properties of 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole has a molecular weight of 412.89 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133488544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).