3-cyclopropyl-6-(thian-4-yloxy)pyridazine

C12H16N2OS — CID 126954346

IUPAC3-cyclopropyl-6-(thian-4-yloxy)pyridazine
SMILESc1cc(C2CC2)nnc1OC1CCSCC1
InChIInChI=1S/C12H16N2OS/c1-2-9(1)11-3-4-12(14-13-11)15-10-5-7-16-8-6-10/h3-4,9-10H,1-2,5-8H2
InChIKeyIIEBOIUWGFYUMP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.63
Rot. Bonds3

About 3-cyclopropyl-6-(thian-4-yloxy)pyridazine

3-cyclopropyl-6-(thian-4-yloxy)pyridazine (PubChem CID 126954346) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-(thian-4-yloxy)pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-(thian-4-yloxy)pyridazine
PubChem CID126954346
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-cyclopropyl-6-(thian-4-yloxy)pyridazine
SMILESc1cc(C2CC2)nnc1OC1CCSCC1
InChIInChI=1S/C12H16N2OS/c1-2-9(1)11-3-4-12(14-13-11)15-10-5-7-16-8-6-10/h3-4,9-10H,1-2,5-8H2
InChIKeyIIEBOIUWGFYUMP-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-(thian-4-yloxy)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 3-cyclopropyl-6-(thian-4-yloxy)pyridazine?
The IUPAC name of 3-cyclopropyl-6-(thian-4-yloxy)pyridazine (CID 126954346) is 3-cyclopropyl-6-(thian-4-yloxy)pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-(thian-4-yloxy)pyridazine?
The canonical SMILES for 3-cyclopropyl-6-(thian-4-yloxy)pyridazine is c1cc(C2CC2)nnc1OC1CCSCC1.
What is the InChIKey of 3-cyclopropyl-6-(thian-4-yloxy)pyridazine?
The InChIKey is IIEBOIUWGFYUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-9(1)11-3-4-12(14-13-11)15-10-5-7-16-8-6-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 3-cyclopropyl-6-(thian-4-yloxy)pyridazine?
3-cyclopropyl-6-(thian-4-yloxy)pyridazine has a molecular weight of 236.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(thian-4-yloxy)pyridazine is sourced from PubChem (CID 126954346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).