5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one

C9H13N3O — CID 170122353

IUPAC5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one
SMILESCc1cnn(C2CN(C)C2)c(=O)c1
InChIInChI=1S/C9H13N3O/c1-7-3-9(13)12(10-4-7)8-5-11(2)6-8/h3-4,8H,5-6H2,1-2H3
InChIKeyJSYQPRLANKTYGY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.04
Rot. Bonds1

About 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one

5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one (PubChem CID 170122353) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one
PubChem CID170122353
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one
SMILESCc1cnn(C2CN(C)C2)c(=O)c1
InChIInChI=1S/C9H13N3O/c1-7-3-9(13)12(10-4-7)8-5-11(2)6-8/h3-4,8H,5-6H2,1-2H3
InChIKeyJSYQPRLANKTYGY-UHFFFAOYSA-N
XLogP0.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-methylpyridazin-3-one
CID 57584072
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
2-Cyclopropyl-5-methylpyridazin-3(2H)-one
CID 125452004
2-(1-Prop-2-enoylazetidin-3-yl)pyridazin-3-one
CID 169134738
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
5-Iodo-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170092839
2-Cyclobutyl-5-methylpyridazin-3-one;propane
CID 171811526
5-Tert-butyl-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 176827734
2-(2-Aminopropyl)-5-methylpyridazin-3-one
CID 106548500
2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one
CID 106548512
2-[(2R)-2-aminopropyl]-5-methylpyridazin-3-one
CID 106548528
5-Methyl-2-[2-(methylamino)propyl]pyridazin-3-one
CID 106548534

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one (CID 170122353) is 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one is Cc1cnn(C2CN(C)C2)c(=O)c1.
What is the InChIKey of 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one?
The InChIKey is JSYQPRLANKTYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-3-9(13)12(10-4-7)8-5-11(2)6-8/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one?
5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one is sourced from PubChem (CID 170122353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).