5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one

C14H16N2O3 — CID 82420083

IUPAC5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-n2nc(CO)c(O)cc2=O)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)14(10(3)5-8)16-13(19)6-12(18)11(7-17)15-16/h4-6,17-18H,7H2,1-3H3
InChIKeyLZIPQAKKAIMXKZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.36
Rot. Bonds2

About 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one

5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one (PubChem CID 82420083) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one
PubChem CID82420083
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-n2nc(CO)c(O)cc2=O)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-4-9(2)14(10(3)5-8)16-13(19)6-12(18)11(7-17)15-16/h4-6,17-18H,7H2,1-3H3
InChIKeyLZIPQAKKAIMXKZ-UHFFFAOYSA-N
XLogP1.36
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420094
6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420089
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
2-(2,4-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419188
2-[1-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82421232
2-(2,5-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420377
5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
CID 82419557
1-(2,6-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82420214
2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one
CID 118914991
6-(butylaminomethyl)-2-(2,4-dimethylphenyl)-5-hydroxypyridazin-3-one
CID 82419180
6-methyl-4-oxo-1-(2,4,6-trimethylphenyl)pyridazine-3-carbohydrazide
CID 82420147
3,5-diethyl-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 107430889

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one (CID 82420083) is 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one is Cc1cc(C)c(-n2nc(CO)c(O)cc2=O)c(C)c1.
What is the InChIKey of 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
The InChIKey is LZIPQAKKAIMXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-9(2)14(10(3)5-8)16-13(19)6-12(18)11(7-17)15-16/h4-6,17-18H,7H2,1-3H3.
What are the key properties of 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one?
5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one has a molecular weight of 260.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(hydroxymethyl)-2-(2,4,6-trimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 82420083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).