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

C14H16N2O2 — CID 52947898

IUPAC2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
SMILESCn1nc(CCOCc2ccccc2)ccc1=O
InChIInChI=1S/C14H16N2O2/c1-16-14(17)8-7-13(15-16)9-10-18-11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyQTOFKFSWEQNYKW-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.54
Rot. Bonds5

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

2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one (PubChem CID 52947898) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
PubChem CID52947898
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
SMILESCn1nc(CCOCc2ccccc2)ccc1=O
InChIInChI=1S/C14H16N2O2/c1-16-14(17)8-7-13(15-16)9-10-18-11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyQTOFKFSWEQNYKW-UHFFFAOYSA-N
XLogP1.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one (CID 52947898) is 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one is Cn1nc(CCOCc2ccccc2)ccc1=O.
What is the InChIKey of 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
The InChIKey is QTOFKFSWEQNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-14(17)8-7-13(15-16)9-10-18-11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3.
What are the key properties of 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one?
2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one has a molecular weight of 244.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one is sourced from PubChem (CID 52947898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).