2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one

C13H14N2O2 — CID 169129055

IUPAC2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
SMILESCc1c(CO)cnn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H14N2O2/c1-10-12(9-16)7-14-15(13(10)17)8-11-5-3-2-4-6-11/h2-7,16H,8-9H2,1H3
InChIKeyILYLOKTWPIQLKP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.09
Rot. Bonds3

About 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one

2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one (PubChem CID 169129055) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
PubChem CID169129055
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
SMILESCc1c(CO)cnn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H14N2O2/c1-10-12(9-16)7-14-15(13(10)17)8-11-5-3-2-4-6-11/h2-7,16H,8-9H2,1H3
InChIKeyILYLOKTWPIQLKP-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
CID 66438332
1-benzyl-5-methyl-1,2,4-triazin-6-one
CID 15722032
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
5-amino-2-benzyl-4-bromopyridazin-3-one
CID 125494178
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
4-amino-2-benzyl-5-bromopyridazin-3-one
CID 84819961
4-benzoyl-2-benzyl-5-chloropyridazin-3-one
CID 53475592
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
CID 68976287

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one?
The IUPAC name of 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one (CID 169129055) is 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one?
The canonical SMILES for 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one is Cc1c(CO)cnn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one?
The InChIKey is ILYLOKTWPIQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-12(9-16)7-14-15(13(10)17)8-11-5-3-2-4-6-11/h2-7,16H,8-9H2,1H3.
What are the key properties of 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one?
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one is sourced from PubChem (CID 169129055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).