3-methoxy-6-(thiolan-2-yl)pyridazine

C9H12N2OS — CID 117105790

IUPAC3-methoxy-6-(thiolan-2-yl)pyridazine
SMILESCOc1ccc(C2CCCS2)nn1
InChIInChI=1S/C9H12N2OS/c1-12-9-5-4-7(10-11-9)8-3-2-6-13-8/h4-5,8H,2-3,6H2,1H3
InChIKeyNTWJTBISLMZAAS-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.05
Rot. Bonds2

About 3-methoxy-6-(thiolan-2-yl)pyridazine

3-methoxy-6-(thiolan-2-yl)pyridazine (PubChem CID 117105790) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-methoxy-6-(thiolan-2-yl)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(thiolan-2-yl)pyridazine
PubChem CID117105790
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name3-methoxy-6-(thiolan-2-yl)pyridazine
SMILESCOc1ccc(C2CCCS2)nn1
InChIInChI=1S/C9H12N2OS/c1-12-9-5-4-7(10-11-9)8-3-2-6-13-8/h4-5,8H,2-3,6H2,1H3
InChIKeyNTWJTBISLMZAAS-UHFFFAOYSA-N
XLogP2.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(thiolan-2-yl)pyridazine?
The IUPAC name of 3-methoxy-6-(thiolan-2-yl)pyridazine (CID 117105790) is 3-methoxy-6-(thiolan-2-yl)pyridazine.
What is the SMILES notation for 3-methoxy-6-(thiolan-2-yl)pyridazine?
The canonical SMILES for 3-methoxy-6-(thiolan-2-yl)pyridazine is COc1ccc(C2CCCS2)nn1.
What is the InChIKey of 3-methoxy-6-(thiolan-2-yl)pyridazine?
The InChIKey is NTWJTBISLMZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-12-9-5-4-7(10-11-9)8-3-2-6-13-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 3-methoxy-6-(thiolan-2-yl)pyridazine?
3-methoxy-6-(thiolan-2-yl)pyridazine has a molecular weight of 196.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(thiolan-2-yl)pyridazine is sourced from PubChem (CID 117105790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).