6-methoxy-2-(2-oxobutyl)pyridazin-3-one

C9H12N2O3 — CID 105061907

IUPAC6-methoxy-2-(2-oxobutyl)pyridazin-3-one
SMILESCCC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H12N2O3/c1-3-7(12)6-11-9(13)5-4-8(10-11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyZKGASZHSECLPOP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.23
Rot. Bonds4

About 6-methoxy-2-(2-oxobutyl)pyridazin-3-one

6-methoxy-2-(2-oxobutyl)pyridazin-3-one (PubChem CID 105061907) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-methoxy-2-(2-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-oxobutyl)pyridazin-3-one
PubChem CID105061907
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6-methoxy-2-(2-oxobutyl)pyridazin-3-one
SMILESCCC(=O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H12N2O3/c1-3-7(12)6-11-9(13)5-4-8(10-11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyZKGASZHSECLPOP-UHFFFAOYSA-N
XLogP0.23
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-oxobutyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-oxobutyl)pyridazin-3-one (CID 105061907) is 6-methoxy-2-(2-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-oxobutyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-oxobutyl)pyridazin-3-one is CCC(=O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-(2-oxobutyl)pyridazin-3-one?
The InChIKey is ZKGASZHSECLPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-7(12)6-11-9(13)5-4-8(10-11)14-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 6-methoxy-2-(2-oxobutyl)pyridazin-3-one?
6-methoxy-2-(2-oxobutyl)pyridazin-3-one has a molecular weight of 196.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 105061907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).