2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one

C10H16N2O4 — CID 10036721

IUPAC2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(CCCCO)c(=O)c1OC
InChIInChI=1S/C10H16N2O4/c1-15-8-7-11-12(5-3-4-6-13)10(14)9(8)16-2/h7,13H,3-6H2,1-2H3
InChIKeySASZOKJHCQMMES-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.03
Rot. Bonds6

About 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one

2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one (PubChem CID 10036721) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one
PubChem CID10036721
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(CCCCO)c(=O)c1OC
InChIInChI=1S/C10H16N2O4/c1-15-8-7-11-12(5-3-4-6-13)10(14)9(8)16-2/h7,13H,3-6H2,1-2H3
InChIKeySASZOKJHCQMMES-UHFFFAOYSA-N
XLogP0.03
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one?
The IUPAC name of 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one (CID 10036721) is 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one?
The canonical SMILES for 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one is COc1cnn(CCCCO)c(=O)c1OC.
What is the InChIKey of 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one?
The InChIKey is SASZOKJHCQMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-15-8-7-11-12(5-3-4-6-13)10(14)9(8)16-2/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one?
2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one has a molecular weight of 228.25 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-4,5-dimethoxypyridazin-3-one is sourced from PubChem (CID 10036721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).