2-benzyl-6-(hydroxymethyl)pyridazin-3-one

C12H12N2O2 — CID 52945483

IUPAC2-benzyl-6-(hydroxymethyl)pyridazin-3-one
SMILESO=c1ccc(CO)nn1Cc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-9-11-6-7-12(16)14(13-11)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2
InChIKeyJWBAWICCENYGJA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.78
Rot. Bonds3

About 2-benzyl-6-(hydroxymethyl)pyridazin-3-one

2-benzyl-6-(hydroxymethyl)pyridazin-3-one (PubChem CID 52945483) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-benzyl-6-(hydroxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(hydroxymethyl)pyridazin-3-one
PubChem CID52945483
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-benzyl-6-(hydroxymethyl)pyridazin-3-one
SMILESO=c1ccc(CO)nn1Cc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-9-11-6-7-12(16)14(13-11)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2
InChIKeyJWBAWICCENYGJA-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(hydroxymethyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(hydroxymethyl)pyridazin-3-one (CID 52945483) is 2-benzyl-6-(hydroxymethyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(hydroxymethyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(hydroxymethyl)pyridazin-3-one is O=c1ccc(CO)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(hydroxymethyl)pyridazin-3-one?
The InChIKey is JWBAWICCENYGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-9-11-6-7-12(16)14(13-11)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2.
What are the key properties of 2-benzyl-6-(hydroxymethyl)pyridazin-3-one?
2-benzyl-6-(hydroxymethyl)pyridazin-3-one has a molecular weight of 216.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(hydroxymethyl)pyridazin-3-one is sourced from PubChem (CID 52945483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).