3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one

C13H14N2O2 — CID 82419602

IUPAC3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
SMILESCc1ccccc1-n1nc(CO)c(=O)cc1C
InChIInChI=1S/C13H14N2O2/c1-9-5-3-4-6-12(9)15-10(2)7-13(17)11(8-16)14-15/h3-7,16H,8H2,1-2H3
InChIKeyRVGARQYPSASRHE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.34
Rot. Bonds2

About 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one

3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one (PubChem CID 82419602) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
PubChem CID82419602
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
SMILESCc1ccccc1-n1nc(CO)c(=O)cc1C
InChIInChI=1S/C13H14N2O2/c1-9-5-3-4-6-12(9)15-10(2)7-13(17)11(8-16)14-15/h3-7,16H,8H2,1-2H3
InChIKeyRVGARQYPSASRHE-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419272
3-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 82419138
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82419961
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
2-[1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82420431
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
3-(chloromethyl)-1-(2,5-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420428
5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
CID 82419557
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
CID 59022551
3-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]propanoic acid
CID 82159419

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one?
The IUPAC name of 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one (CID 82419602) is 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one is Cc1ccccc1-n1nc(CO)c(=O)cc1C.
What is the InChIKey of 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one?
The InChIKey is RVGARQYPSASRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-3-4-6-12(9)15-10(2)7-13(17)11(8-16)14-15/h3-7,16H,8H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one?
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one is sourced from PubChem (CID 82419602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).