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

C10H16N2O2 — CID 62923923

IUPAC2-(5-hydroxypentyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCCCO)n1
InChIInChI=1S/C10H16N2O2/c1-9-5-6-10(14)12(11-9)7-3-2-4-8-13/h5-6,13H,2-4,7-8H2,1H3
InChIKeyPMZMZMDXEWKGQM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.71
Rot. Bonds5

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

2-(5-hydroxypentyl)-6-methylpyridazin-3-one (PubChem CID 62923923) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5-hydroxypentyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxypentyl)-6-methylpyridazin-3-one
PubChem CID62923923
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(5-hydroxypentyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCCCO)n1
InChIInChI=1S/C10H16N2O2/c1-9-5-6-10(14)12(11-9)7-3-2-4-8-13/h5-6,13H,2-4,7-8H2,1H3
InChIKeyPMZMZMDXEWKGQM-UHFFFAOYSA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpyridazin-3-one?
The IUPAC name of 2-(5-hydroxypentyl)-6-methylpyridazin-3-one (CID 62923923) is 2-(5-hydroxypentyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxypentyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(5-hydroxypentyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCCCCO)n1.
What is the InChIKey of 2-(5-hydroxypentyl)-6-methylpyridazin-3-one?
The InChIKey is PMZMZMDXEWKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-9-5-6-10(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-methylpyridazin-3-one?
2-(5-hydroxypentyl)-6-methylpyridazin-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 62923923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).