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

C8H10N2O3 — CID 57239804

IUPAC5-hydroxy-2-(3-oxobutyl)pyridazin-3-one
SMILESCC(=O)CCn1ncc(O)cc1=O
InChIInChI=1S/C8H10N2O3/c1-6(11)2-3-10-8(13)4-7(12)5-9-10/h4-5,12H,2-3H2,1H3
InChIKeySQLNOWDMJOYJCX-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.07
Rot. Bonds3

About 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one

5-hydroxy-2-(3-oxobutyl)pyridazin-3-one (PubChem CID 57239804) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(3-oxobutyl)pyridazin-3-one
PubChem CID57239804
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-hydroxy-2-(3-oxobutyl)pyridazin-3-one
SMILESCC(=O)CCn1ncc(O)cc1=O
InChIInChI=1S/C8H10N2O3/c1-6(11)2-3-10-8(13)4-7(12)5-9-10/h4-5,12H,2-3H2,1H3
InChIKeySQLNOWDMJOYJCX-UHFFFAOYSA-N
XLogP-0.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one (CID 57239804) is 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one is CC(=O)CCn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one?
The InChIKey is SQLNOWDMJOYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(11)2-3-10-8(13)4-7(12)5-9-10/h4-5,12H,2-3H2,1H3.
What are the key properties of 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one?
5-hydroxy-2-(3-oxobutyl)pyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 57239804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).