5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one

C8H12N2O3 — CID 54708485

IUPAC5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one
SMILESO=c1cc(O)cnn1CCCCO
InChIInChI=1S/C8H12N2O3/c11-4-2-1-3-10-8(13)5-7(12)6-9-10/h5-6,11-12H,1-4H2
InChIKeyQXYFBVQVNONGEE-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.28
Rot. Bonds4

About 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one

5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 54708485) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID54708485
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one
SMILESO=c1cc(O)cnn1CCCCO
InChIInChI=1S/C8H12N2O3/c11-4-2-1-3-10-8(13)5-7(12)6-9-10/h5-6,11-12H,1-4H2
InChIKeyQXYFBVQVNONGEE-UHFFFAOYSA-N
XLogP-0.28
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one (CID 54708485) is 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one is O=c1cc(O)cnn1CCCCO.
What is the InChIKey of 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is QXYFBVQVNONGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-4-2-1-3-10-8(13)5-7(12)6-9-10/h5-6,11-12H,1-4H2.
What are the key properties of 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one?
5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 184.20 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 54708485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).