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

C11H18N2O3 — CID 105062069

IUPAC2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCC(C)O)n1
InChIInChI=1S/C11H18N2O3/c1-9(14)5-3-4-8-13-11(15)7-6-10(12-13)16-2/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyUTYFZZRIAKYLOD-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.80
Rot. Bonds6

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

2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one (PubChem CID 105062069) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one
PubChem CID105062069
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCC(C)O)n1
InChIInChI=1S/C11H18N2O3/c1-9(14)5-3-4-8-13-11(15)7-6-10(12-13)16-2/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyUTYFZZRIAKYLOD-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.80
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-hydroxyhexyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one (CID 105062069) is 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCC(C)O)n1.
What is the InChIKey of 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one?
The InChIKey is UTYFZZRIAKYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(14)5-3-4-8-13-11(15)7-6-10(12-13)16-2/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one?
2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one has a molecular weight of 226.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxyhexyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).