2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one

C13H14N2O2 — CID 52945484

IUPAC2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one
SMILESCn1nc(COCc2ccccc2)ccc1=O
InChIInChI=1S/C13H14N2O2/c1-15-13(16)8-7-12(14-15)10-17-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyNQUVAJDUWJGEFU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one

2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one (PubChem CID 52945484) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one
PubChem CID52945484
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one
SMILESCn1nc(COCc2ccccc2)ccc1=O
InChIInChI=1S/C13H14N2O2/c1-15-13(16)8-7-12(14-15)10-17-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyNQUVAJDUWJGEFU-UHFFFAOYSA-N
XLogP1.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one (CID 52945484) is 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one is Cn1nc(COCc2ccccc2)ccc1=O.
What is the InChIKey of 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one?
The InChIKey is NQUVAJDUWJGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-13(16)8-7-12(14-15)10-17-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one?
2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(phenylmethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 52945484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).