4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one

C9H14N2O3 — CID 82442975

IUPAC4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
SMILESCOCCn1nc(C)cc(CO)c1=O
InChIInChI=1S/C9H14N2O3/c1-7-5-8(6-12)9(13)11(10-7)3-4-14-2/h5,12H,3-4,6H2,1-2H3
InChIKeyJSDWHTOGZOMHSM-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.31
Rot. Bonds4

About 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one

4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one (PubChem CID 82442975) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
PubChem CID82442975
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
SMILESCOCCn1nc(C)cc(CO)c1=O
InChIInChI=1S/C9H14N2O3/c1-7-5-8(6-12)9(13)11(10-7)3-4-14-2/h5,12H,3-4,6H2,1-2H3
InChIKeyJSDWHTOGZOMHSM-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82443029
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
CID 82442992
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82443028
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
trifluoro-[1-(3-methoxypropyl)-3-methylpyrazol-5-yl]boranuide
CID 165170534
4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82467437
2-ethyl-6-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82442720
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
6-tert-butyl-2-(2-methoxyethyl)-3-oxopyridazine-4-carbothioamide
CID 82443730
6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
CID 82446684

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one (CID 82442975) is 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one is COCCn1nc(C)cc(CO)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one?
The InChIKey is JSDWHTOGZOMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-5-8(6-12)9(13)11(10-7)3-4-14-2/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one?
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one has a molecular weight of 198.22 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 82442975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).