1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

C14H14N2O3 — CID 43154900

IUPAC1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCCc1ccccc1-n1nc(C(=O)O)c(=O)cc1C
InChIInChI=1S/C14H14N2O3/c1-3-10-6-4-5-7-11(10)16-9(2)8-12(17)13(15-16)14(18)19/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyLWAFBQKYCQREDQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 43154900) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID43154900
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCCc1ccccc1-n1nc(C(=O)O)c(=O)cc1C
InChIInChI=1S/C14H14N2O3/c1-3-10-6-4-5-7-11(10)16-9(2)8-12(17)13(15-16)14(18)19/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyLWAFBQKYCQREDQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 82419822
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
1-(4-bromo-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 81287980
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
1-(5-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43556030
1-(2-bromo-4-iodophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 114260944
1-(4-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363464
N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 31796540

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 43154900) is 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is CCc1ccccc1-n1nc(C(=O)O)c(=O)cc1C.
What is the InChIKey of 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is LWAFBQKYCQREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-10-6-4-5-7-11(10)16-9(2)8-12(17)13(15-16)14(18)19/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 43154900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).