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

C8H10N2O2 — CID 62849608

IUPAC2-(2-oxobutyl)pyridazin-3-one
SMILESCCC(=O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O2/c1-2-7(11)6-10-8(12)4-3-5-9-10/h3-5H,2,6H2,1H3
InChIKeyYTOWEPDUDUMOLB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.22
Rot. Bonds3

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

2-(2-oxobutyl)pyridazin-3-one (PubChem CID 62849608) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(2-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxobutyl)pyridazin-3-one
PubChem CID62849608
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(2-oxobutyl)pyridazin-3-one
SMILESCCC(=O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O2/c1-2-7(11)6-10-8(12)4-3-5-9-10/h3-5H,2,6H2,1H3
InChIKeyYTOWEPDUDUMOLB-UHFFFAOYSA-N
XLogP0.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobutyl)pyridazin-3-one?
The IUPAC name of 2-(2-oxobutyl)pyridazin-3-one (CID 62849608) is 2-(2-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-oxobutyl)pyridazin-3-one?
The canonical SMILES for 2-(2-oxobutyl)pyridazin-3-one is CCC(=O)Cn1ncccc1=O.
What is the InChIKey of 2-(2-oxobutyl)pyridazin-3-one?
The InChIKey is YTOWEPDUDUMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-7(11)6-10-8(12)4-3-5-9-10/h3-5H,2,6H2,1H3.
What are the key properties of 2-(2-oxobutyl)pyridazin-3-one?
2-(2-oxobutyl)pyridazin-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 62849608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).