ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one

C11H17N3O2 — CID 171811472

IUPACethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one
SMILESCC.Cc1ccc(=O)n(CC2CC(=O)N2)n1
InChIInChI=1S/C9H11N3O2.C2H6/c1-6-2-3-9(14)12(11-6)5-7-4-8(13)10-7;1-2/h2-3,7H,4-5H2,1H3,(H,10,13);1-2H3
InChIKeyJLCLRNRVTPCSNH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.47
Rot. Bonds2

About ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one

ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one (PubChem CID 171811472) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Nameethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one
PubChem CID171811472
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one
SMILESCC.Cc1ccc(=O)n(CC2CC(=O)N2)n1
InChIInChI=1S/C9H11N3O2.C2H6/c1-6-2-3-9(14)12(11-6)5-7-4-8(13)10-7;1-2/h2-3,7H,4-5H2,1H3,(H,10,13);1-2H3
InChIKeyJLCLRNRVTPCSNH-UHFFFAOYSA-N
XLogP0.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one (CID 171811472) is ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one is CC.Cc1ccc(=O)n(CC2CC(=O)N2)n1.
What is the InChIKey of ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is JLCLRNRVTPCSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.C2H6/c1-6-2-3-9(14)12(11-6)5-7-4-8(13)10-7;1-2/h2-3,7H,4-5H2,1H3,(H,10,13);1-2H3.
What are the key properties of ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one?
ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-[(4-oxoazetidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 171811472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).