6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid

C14H14N2O4 — CID 82446124

IUPAC6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)c(=O)[nH]n2)cc1
InChIInChI=1S/C14H14N2O4/c1-8(2)20-10-5-3-9(4-6-10)12-7-11(14(18)19)13(17)16-15-12/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyATHKGDOGPRNJKV-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.92
Rot. Bonds4

About 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid

6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid (PubChem CID 82446124) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
PubChem CID82446124
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)c(=O)[nH]n2)cc1
InChIInChI=1S/C14H14N2O4/c1-8(2)20-10-5-3-9(4-6-10)12-7-11(14(18)19)13(17)16-15-12/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyATHKGDOGPRNJKV-UHFFFAOYSA-N
XLogP1.92
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 90994241
3-oxo-5-(4-propan-2-yloxyphenyl)-1,2-dihydropyrazole-4-carboxylic acid
CID 82485463
3-[3-cyano-4-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridazine-5-carboxylic acid
CID 155555894
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid (CID 82446124) is 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid is CC(C)Oc1ccc(-c2cc(C(=O)O)c(=O)[nH]n2)cc1.
What is the InChIKey of 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid?
The InChIKey is ATHKGDOGPRNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(2)20-10-5-3-9(4-6-10)12-7-11(14(18)19)13(17)16-15-12/h3-8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid?
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 82446124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).