2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one

C12H21N3O2 — CID 114228634

IUPAC2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one
SMILESCNC(Cn1ncc(C)cc1=O)C(C)(C)OC
InChIInChI=1S/C12H21N3O2/c1-9-6-11(16)15(14-7-9)8-10(13-4)12(2,3)17-5/h6-7,10,13H,8H2,1-5H3
InChIKeyFVSAQXBHITYWCK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.56
Rot. Bonds5

About 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one

2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one (PubChem CID 114228634) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one
PubChem CID114228634
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one
SMILESCNC(Cn1ncc(C)cc1=O)C(C)(C)OC
InChIInChI=1S/C12H21N3O2/c1-9-6-11(16)15(14-7-9)8-10(13-4)12(2,3)17-5/h6-7,10,13H,8H2,1-5H3
InChIKeyFVSAQXBHITYWCK-UHFFFAOYSA-N
XLogP0.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[3-methyl-2-(methylamino)pentyl]pyridazin-3-one
CID 106548526
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548563
3-methoxy-N,3-dimethyl-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-amine
CID 114228588
methyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548424
2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
CID 106548589
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-(2-aminopentyl)-5-methylpyridazin-3-one
CID 106548547
2-acetamido-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548377
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
2-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpyridazin-3-one
CID 106549204
N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 131176187

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one (CID 114228634) is 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one is CNC(Cn1ncc(C)cc1=O)C(C)(C)OC.
What is the InChIKey of 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one?
The InChIKey is FVSAQXBHITYWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-6-11(16)15(14-7-9)8-10(13-4)12(2,3)17-5/h6-7,10,13H,8H2,1-5H3.
What are the key properties of 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one?
2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 114228634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).