2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid

C16H18N2O3 — CID 82444793

IUPAC2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
SMILESCCn1nc(-c2ccc(C(C)C)cc2)cc(C(=O)O)c1=O
InChIInChI=1S/C16H18N2O3/c1-4-18-15(19)13(16(20)21)9-14(17-18)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyXSYMIOFVUCQWIX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.75
Rot. Bonds4

About 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid

2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid (PubChem CID 82444793) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
PubChem CID82444793
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
SMILESCCn1nc(-c2ccc(C(C)C)cc2)cc(C(=O)O)c1=O
InChIInChI=1S/C16H18N2O3/c1-4-18-15(19)13(16(20)21)9-14(17-18)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyXSYMIOFVUCQWIX-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid
CID 10244792
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
CID 10061871
2-ethyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444750
2-ethyl-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 82442699
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
6-(4-propan-2-ylphenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446660
3-[2-ethyl-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanoic acid
CID 82444762
6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82444930
2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444777
2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70545373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid (CID 82444793) is 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid is CCn1nc(-c2ccc(C(C)C)cc2)cc(C(=O)O)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid?
The InChIKey is XSYMIOFVUCQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-18-15(19)13(16(20)21)9-14(17-18)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid?
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 82444793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).