3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine

C11H15N3O — CID 163238244

IUPAC3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine
SMILESCOc1ccc(C2=CC(C)CNC2)nn1
InChIInChI=1S/C11H15N3O/c1-8-5-9(7-12-6-8)10-3-4-11(15-2)14-13-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyTVLBWJKHUMLCQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.11
Rot. Bonds2

About 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine

3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine (PubChem CID 163238244) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine
PubChem CID163238244
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine
SMILESCOc1ccc(C2=CC(C)CNC2)nn1
InChIInChI=1S/C11H15N3O/c1-8-5-9(7-12-6-8)10-3-4-11(15-2)14-13-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyTVLBWJKHUMLCQC-UHFFFAOYSA-N
XLogP1.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine?
The IUPAC name of 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine (CID 163238244) is 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine.
What is the SMILES notation for 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine?
The canonical SMILES for 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine is COc1ccc(C2=CC(C)CNC2)nn1.
What is the InChIKey of 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine?
The InChIKey is TVLBWJKHUMLCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-5-9(7-12-6-8)10-3-4-11(15-2)14-13-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine?
3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine has a molecular weight of 205.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyridazine is sourced from PubChem (CID 163238244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).