2-butyl-4-ethoxy-5-hydroxypyridazin-3-one

C10H16N2O3 — CID 54711970

IUPAC2-butyl-4-ethoxy-5-hydroxypyridazin-3-one
SMILESCCCCn1ncc(O)c(OCC)c1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-6-12-10(14)9(15-4-2)8(13)7-11-12/h7,13H,3-6H2,1-2H3
InChIKeyBFNWXHZSSRFHHH-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.15
Rot. Bonds5

About 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one

2-butyl-4-ethoxy-5-hydroxypyridazin-3-one (PubChem CID 54711970) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-ethoxy-5-hydroxypyridazin-3-one
PubChem CID54711970
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-butyl-4-ethoxy-5-hydroxypyridazin-3-one
SMILESCCCCn1ncc(O)c(OCC)c1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-6-12-10(14)9(15-4-2)8(13)7-11-12/h7,13H,3-6H2,1-2H3
InChIKeyBFNWXHZSSRFHHH-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-4-ethoxy-5-hydroxypyridazin-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-butyl-4-ethoxy-5-hydroxypyridazin-3-one?
The IUPAC name of 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one (CID 54711970) is 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one.
What is the SMILES notation for 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one?
The canonical SMILES for 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one is CCCCn1ncc(O)c(OCC)c1=O.
What is the InChIKey of 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one?
The InChIKey is BFNWXHZSSRFHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-6-12-10(14)9(15-4-2)8(13)7-11-12/h7,13H,3-6H2,1-2H3.
What are the key properties of 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one?
2-butyl-4-ethoxy-5-hydroxypyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethoxy-5-hydroxypyridazin-3-one is sourced from PubChem (CID 54711970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).