2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one

C9H14N2O3 — CID 106548843

IUPAC2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one
SMILESCOCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H14N2O3/c1-7-3-9(13)11(10-4-7)5-8(12)6-14-2/h3-4,8,12H,5-6H2,1-2H3
InChIKeyCFYGIMVGSQCJLR-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.44
Rot. Bonds4

About 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one (PubChem CID 106548843) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one
PubChem CID106548843
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one
SMILESCOCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C9H14N2O3/c1-7-3-9(13)11(10-4-7)5-8(12)6-14-2/h3-4,8,12H,5-6H2,1-2H3
InChIKeyCFYGIMVGSQCJLR-UHFFFAOYSA-N
XLogP-0.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(2-Hydroxy-3-methoxypropyl)pyridazin-3-one
CID 91026591
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 123747839
2-[(2S)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 141267631
5-(Dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920952
5-[Ethyl(methyl)amino]-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920957
5-(Diethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920958
2-(3-Bromo-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548496
2-(3-Amino-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548642
5-Methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 106548644
2-(2-Hydroxyethyl)-5-methylpyridazin-3-one
CID 106548841
2-(3-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548845

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one (CID 106548843) is 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one is COCC(O)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one?
The InChIKey is CFYGIMVGSQCJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-3-9(13)11(10-4-7)5-8(12)6-14-2/h3-4,8,12H,5-6H2,1-2H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one has a molecular weight of 198.22 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).