6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C18H21N5OS — CID 166223076

IUPAC6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc(-c2nnc3ccc(N4CCCC(C5CCOC5)C4)nn23)cs1
InChIInChI=1S/C18H21N5OS/c1-2-13(14-5-8-24-11-14)10-22(7-1)17-4-3-16-19-20-18(23(16)21-17)15-6-9-25-12-15/h3-4,6,9,12-14H,1-2,5,7-8,10-11H2
InChIKeyMZLXAVDJAXAFBU-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.11
Rot. Bonds3

About 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166223076) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166223076
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc(-c2nnc3ccc(N4CCCC(C5CCOC5)C4)nn23)cs1
InChIInChI=1S/C18H21N5OS/c1-2-13(14-5-8-24-11-14)10-22(7-1)17-4-3-16-19-20-18(23(16)21-17)15-6-9-25-12-15/h3-4,6,9,12-14H,1-2,5,7-8,10-11H2
InChIKeyMZLXAVDJAXAFBU-UHFFFAOYSA-N
XLogP3.11
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine 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 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 166223076) is 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cc(-c2nnc3ccc(N4CCCC(C5CCOC5)C4)nn23)cs1.
What is the InChIKey of 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MZLXAVDJAXAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-2-13(14-5-8-24-11-14)10-22(7-1)17-4-3-16-19-20-18(23(16)21-17)15-6-9-25-12-15/h3-4,6,9,12-14H,1-2,5,7-8,10-11H2.
What are the key properties of 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 355.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(oxolan-3-yl)piperidin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166223076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).