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

C19H10ClFN6OS — CID 133425826

IUPAC2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc2ccc(Sc3nnc(-c4ccc(Cl)cc4)o3)nn12
InChIInChI=1S/C19H10ClFN6OS/c20-12-7-5-11(6-8-12)18-24-25-19(28-18)29-16-10-9-15-22-23-17(27(15)26-16)13-3-1-2-4-14(13)21/h1-10H
InChIKeyRLFRXRDMWSNGRO-UHFFFAOYSA-N
MW424.85 g/mol
LogP4.78
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole (PubChem CID 133425826) has the molecular formula C19H10ClFN6OS and a molecular weight of 424.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole
PubChem CID133425826
Molecular FormulaC19H10ClFN6OS
Molecular Weight424.85 g/mol
Exact Mass424.03
IUPAC Name2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc2ccc(Sc3nnc(-c4ccc(Cl)cc4)o3)nn12
InChIInChI=1S/C19H10ClFN6OS/c20-12-7-5-11(6-8-12)18-24-25-19(28-18)29-16-10-9-15-22-23-17(27(15)26-16)13-3-1-2-4-14(13)21/h1-10H
InChIKeyRLFRXRDMWSNGRO-UHFFFAOYSA-N
XLogP4.78
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 133425711
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
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
CID 133430110
[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl] pyrrolidine-1-carbodithioate
CID 133424878
6-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426988
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133426563
3-(2-fluorophenyl)-6-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133427204
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetonitrile
CID 43935641
ethyl 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate
CID 86701046
3-(4-chlorophenyl)-6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 43935636
2-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 4813620

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole (CID 133425826) is 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc2ccc(Sc3nnc(-c4ccc(Cl)cc4)o3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole?
The InChIKey is RLFRXRDMWSNGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN6OS/c20-12-7-5-11(6-8-12)18-24-25-19(28-18)29-16-10-9-15-22-23-17(27(15)26-16)13-3-1-2-4-14(13)21/h1-10H.
What are the key properties of 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole has a molecular weight of 424.85 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133425826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).