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

C13H10N6OS2 — CID 71579087

IUPAC2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCC(Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1
InChIInChI=1S/C13H10N6OS2/c1-8(13-17-14-7-20-13)22-11-5-4-10-15-16-12(19(10)18-11)9-3-2-6-21-9/h2-8H,1H3
InChIKeyKOIOKDSMXQFEKV-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.09
Rot. Bonds4

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

2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 71579087) has the molecular formula C13H10N6OS2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID71579087
Molecular FormulaC13H10N6OS2
Molecular Weight330.40 g/mol
Exact Mass330.04
IUPAC Name2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCC(Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1
InChIInChI=1S/C13H10N6OS2/c1-8(13-17-14-7-20-13)22-11-5-4-10-15-16-12(19(10)18-11)9-3-2-6-21-9/h2-8H,1H3
InChIKeyKOIOKDSMXQFEKV-UHFFFAOYSA-N
XLogP3.09
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole (CID 71579087) is 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole is CC(Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1.
What is the InChIKey of 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is KOIOKDSMXQFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6OS2/c1-8(13-17-14-7-20-13)22-11-5-4-10-15-16-12(19(10)18-11)9-3-2-6-21-9/h2-8H,1H3.
What are the key properties of 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole?
2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 330.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71579087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).