2-(5-hydroxypentyl)-6-methoxypyridazin-3-one

C10H16N2O3 — CID 105061945

IUPAC2-(5-hydroxypentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCO)n1
InChIInChI=1S/C10H16N2O3/c1-15-9-5-6-10(14)12(11-9)7-3-2-4-8-13/h5-6,13H,2-4,7-8H2,1H3
InChIKeyALFWUEKAAALVGB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.41
Rot. Bonds6

About 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one

2-(5-hydroxypentyl)-6-methoxypyridazin-3-one (PubChem CID 105061945) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-6-methoxypyridazin-3-one
PubChem CID105061945
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(5-hydroxypentyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCO)n1
InChIInChI=1S/C10H16N2O3/c1-15-9-5-6-10(14)12(11-9)7-3-2-4-8-13/h5-6,13H,2-4,7-8H2,1H3
InChIKeyALFWUEKAAALVGB-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one (CID 105061945) is 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCCO)n1.
What is the InChIKey of 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one?
The InChIKey is ALFWUEKAAALVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-15-9-5-6-10(14)12(11-9)7-3-2-4-8-13/h5-6,13H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one?
2-(5-hydroxypentyl)-6-methoxypyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).