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

C11H18N2O3 — CID 107705304

IUPAC2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCCO)n1
InChIInChI=1S/C11H18N2O3/c1-16-10-6-7-11(15)13(12-10)8-4-2-3-5-9-14/h6-7,14H,2-5,8-9H2,1H3
InChIKeySRNBIYHLLCXEQN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.80
Rot. Bonds7

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

2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one (PubChem CID 107705304) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one
PubChem CID107705304
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCCCCO)n1
InChIInChI=1S/C11H18N2O3/c1-16-10-6-7-11(15)13(12-10)8-4-2-3-5-9-14/h6-7,14H,2-5,8-9H2,1H3
InChIKeySRNBIYHLLCXEQN-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

6-methoxy-2-[2-[(2S)-oxolan-2-yl]ethyl]pyridazin-3-one
CID 99841736
6-methoxy-2-[2-[(2R)-oxolan-2-yl]ethyl]pyridazin-3-one
CID 99841737
2-(6-Hydroxyhexyl)-6-methylpyridazin-3-one
CID 103867913
6-(3-Methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
2-(4-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061941
2-(3-Hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061943
2-(5-Hydroxypentyl)-6-methoxypyridazin-3-one
CID 105061945
2-(3-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061948
2-(2-Hydroxypentyl)-6-methoxypyridazin-3-one
CID 105062043
2-(2-Hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
CID 105062045
2-(2-Cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
CID 105062066
2-(5-Hydroxyhexyl)-6-methoxypyridazin-3-one
CID 105062069

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one (CID 107705304) is 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCCCCO)n1.
What is the InChIKey of 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one?
The InChIKey is SRNBIYHLLCXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-10-6-7-11(15)13(12-10)8-4-2-3-5-9-14/h6-7,14H,2-5,8-9H2,1H3.
What are the key properties of 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one?
2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one has a molecular weight of 226.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 107705304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).