6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid

C13H12N2O4 — CID 7131845

IUPAC6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C13H12N2O4/c16-12-7-6-11(13(17)18)14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18)
InChIKeyXRVPEQDXUVOXQJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.02
Rot. Bonds5

About 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid

6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid (PubChem CID 7131845) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
PubChem CID7131845
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C13H12N2O4/c16-12-7-6-11(13(17)18)14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18)
InChIKeyXRVPEQDXUVOXQJ-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
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-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 36674945
2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 47069511
(2,4,6-trichlorophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615981
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
CID 129259620
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248
6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid (CID 7131845) is 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid?
The InChIKey is XRVPEQDXUVOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12-7-6-11(13(17)18)14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18).
What are the key properties of 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid?
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 7131845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).