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

C13H14N2O2 — CID 129259620

IUPAC6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-11-7-8-13(16)15(14-11)9-10-17-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyOMMNOBNPLXNGGW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds4

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

6-methyl-2-(2-phenoxyethyl)pyridazin-3-one (PubChem CID 129259620) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
PubChem CID129259620
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-11-7-8-13(16)15(14-11)9-10-17-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyOMMNOBNPLXNGGW-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzonitrile
CID 62921784
3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzoic acid
CID 62923349
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
2-[2-(2-acetylphenoxy)ethyl]-6-methylpyridazin-3-one
CID 62923744
3-[3-(3-methyl-6-oxopyridazin-1-yl)propoxy]benzonitrile
CID 62923568
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
2-[2-(2-chloroethoxy)ethyl]-6-methylpyridazin-3-one
CID 63664601
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-methyl-2-propylpyridazin-3-one
CID 12504076
[2-(N-ethylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628831

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one?
The IUPAC name of 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one (CID 129259620) is 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one is Cc1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one?
The InChIKey is OMMNOBNPLXNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-11-7-8-13(16)15(14-11)9-10-17-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one?
6-methyl-2-(2-phenoxyethyl)pyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenoxyethyl)pyridazin-3-one is sourced from PubChem (CID 129259620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).