1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

C14H14N2O3 — CID 43154905

IUPAC1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(C)c(-n2nc(C(=O)O)c(=O)cc2C)c1
InChIInChI=1S/C14H14N2O3/c1-8-4-5-9(2)11(6-8)16-10(3)7-12(17)13(15-16)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyADSQFNZJRKHGGL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.86
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 43154905) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID43154905
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(C)c(-n2nc(C(=O)O)c(=O)cc2C)c1
InChIInChI=1S/C14H14N2O3/c1-8-4-5-9(2)11(6-8)16-10(3)7-12(17)13(15-16)14(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyADSQFNZJRKHGGL-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 43154905) is 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is Cc1ccc(C)c(-n2nc(C(=O)O)c(=O)cc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is ADSQFNZJRKHGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-4-5-9(2)11(6-8)16-10(3)7-12(17)13(15-16)14(18)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 43154905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).