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

C10H16N2O3 — CID 105062043

IUPAC2-(2-hydroxypentyl)-6-methoxypyridazin-3-one
SMILESCCCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C10H16N2O3/c1-3-4-8(13)7-12-10(14)6-5-9(11-12)15-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyLBKQHLRVDSGWJU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.41
Rot. Bonds5

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

2-(2-hydroxypentyl)-6-methoxypyridazin-3-one (PubChem CID 105062043) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypentyl)-6-methoxypyridazin-3-one
PubChem CID105062043
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-hydroxypentyl)-6-methoxypyridazin-3-one
SMILESCCCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C10H16N2O3/c1-3-4-8(13)7-12-10(14)6-5-9(11-12)15-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyLBKQHLRVDSGWJU-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-6-methoxy-2,3-dihydropyridazin-3-one
CID 165786767
2-(2-Hydroxypentyl)pyridazin-3-one
CID 62848741
2-(2-Hydroxypentyl)-6-methylpyridazin-3-one
CID 62924260
2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one
CID 102735301
2-(3-Bromo-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061612
2-[2-Hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one
CID 105061736
2-[3-(Ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
CID 105061738
2-(3-Amino-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061739
2-(2,3-Dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
2-(2-Hydroxyethyl)-6-methoxypyridazin-3-one
CID 105061940
2-(4-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061941
2-(2-Hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061942

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one (CID 105062043) is 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one is CCCC(O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one?
The InChIKey is LBKQHLRVDSGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-8(13)7-12-10(14)6-5-9(11-12)15-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one?
2-(2-hydroxypentyl)-6-methoxypyridazin-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).