2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid

C15H16N2O4 — CID 82444253

IUPAC2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
SMILESCC(C)Oc1cccc(-c2cc(C(=O)O)c(=O)n(C)n2)c1
InChIInChI=1S/C15H16N2O4/c1-9(2)21-11-6-4-5-10(7-11)13-8-12(15(19)20)14(18)17(3)16-13/h4-9H,1-3H3,(H,19,20)
InChIKeyZWIRRBOOXACIDQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.93
Rot. Bonds4

About 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid

2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid (PubChem CID 82444253) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
PubChem CID82444253
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
SMILESCC(C)Oc1cccc(-c2cc(C(=O)O)c(=O)n(C)n2)c1
InChIInChI=1S/C15H16N2O4/c1-9(2)21-11-6-4-5-10(7-11)13-8-12(15(19)20)14(18)17(3)16-13/h4-9H,1-3H3,(H,19,20)
InChIKeyZWIRRBOOXACIDQ-UHFFFAOYSA-N
XLogP1.93
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
2-[[1-(3,5-dimethyl-4-pyridinyl)-3-(3-propan-2-yloxyphenyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 69135936
2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
CID 82445083
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid (CID 82444253) is 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid is CC(C)Oc1cccc(-c2cc(C(=O)O)c(=O)n(C)n2)c1.
What is the InChIKey of 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
The InChIKey is ZWIRRBOOXACIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)21-11-6-4-5-10(7-11)13-8-12(15(19)20)14(18)17(3)16-13/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 82444253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).