2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one

C11H18N2O3 — CID 105062045

IUPAC2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
SMILESCCC(C)C(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H18N2O3/c1-4-8(2)9(14)7-13-11(15)6-5-10(12-13)16-3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyNQBJIGQBYNIXSU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one

2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one (PubChem CID 105062045) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
PubChem CID105062045
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
SMILESCCC(C)C(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H18N2O3/c1-4-8(2)9(14)7-13-11(15)6-5-10(12-13)16-3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyNQBJIGQBYNIXSU-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Hydroxy-3-methylpentyl)pyridazin-3-one
CID 80448787
2-(2-Hydroxy-3-methylpentyl)-6-methylpyridazin-3-one
CID 80448906
2-(2-Hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061942
2-(2-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061944
2-(5-Hydroxypentyl)-6-methoxypyridazin-3-one
CID 105061945
2-(3-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061948
2-(3-Hydroxybutan-2-yl)-6-methoxypyridazin-3-one
CID 105061951
2-[(2R)-2-hydroxypropyl]-6-methoxypyridazin-3-one
CID 105062037
2-(2-Hydroxypentyl)-6-methoxypyridazin-3-one
CID 105062043
2-[(2S)-2-hydroxypropyl]-6-methoxypyridazin-3-one
CID 105062046
2-(2-Hydroxy-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
CID 105062051
2-(2-Hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one
CID 105062054

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one (CID 105062045) is 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one is CCC(C)C(O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one?
The InChIKey is NQBJIGQBYNIXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-8(2)9(14)7-13-11(15)6-5-10(12-13)16-3/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one?
2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one has a molecular weight of 226.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).