5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one

C12H12N2O2 — CID 82445428

IUPAC5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(CO)c(=O)[nH]n2)cc1
InChIInChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)11-6-10(7-15)12(16)14-13-11/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeyICPHELJENHPHAS-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.24
Rot. Bonds2

About 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one

5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one (PubChem CID 82445428) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
PubChem CID82445428
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(CO)c(=O)[nH]n2)cc1
InChIInChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)11-6-10(7-15)12(16)14-13-11/h2-6,15H,7H2,1H3,(H,14,16)
InChIKeyICPHELJENHPHAS-UHFFFAOYSA-N
XLogP1.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
CID 2811840
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
3-(4-fluorophenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82445694
5-(chloromethyl)-3-(4-ethylphenyl)-1H-pyridazin-6-one
CID 82445487
5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
CID 82445397
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
CID 82445513
3-methyl-5-(4-methylphenyl)-1H-pyridazin-6-one
CID 173296566
3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 12517384
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one (CID 82445428) is 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one is Cc1ccc(-c2cc(CO)c(=O)[nH]n2)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is ICPHELJENHPHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)11-6-10(7-15)12(16)14-13-11/h2-6,15H,7H2,1H3,(H,14,16).
What are the key properties of 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one?
5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).