2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid

C12H18N2O3 — CID 106549139

IUPAC2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCc1cnn(CCCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C12H18N2O3/c1-9-7-10(15)14(13-8-9)6-4-5-12(2,3)11(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyHEPQYIZZWKMYEF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds5

About 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid

2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 106549139) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
PubChem CID106549139
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCc1cnn(CCCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C12H18N2O3/c1-9-7-10(15)14(13-8-9)6-4-5-12(2,3)11(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyHEPQYIZZWKMYEF-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Iodo-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 66875346
2,2-Dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid
CID 65254803
6-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548378
2-(4-Methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid
CID 106548386
5-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548456
2,2-Dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106549135
2-[1-[(4-Methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
CID 106549146
2,2-Dimethyl-6-(6-oxopyridazin-1-yl)hexanoic acid
CID 106714170
2,2-Dimethyl-6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106714219
5-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
CID 113579747
2,2-Dimethyl-5-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid
CID 114397986
5-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
CID 114398126

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid (CID 106549139) is 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid is Cc1cnn(CCCC(C)(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is HEPQYIZZWKMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-7-10(15)14(13-8-9)6-4-5-12(2,3)11(16)17/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 106549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).