4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid

C12H19N3O3 — CID 114397998

IUPAC4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid
SMILESCN(C)c1cnn(CCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C12H19N3O3/c1-12(2,11(17)18)5-6-15-10(16)7-9(8-13-15)14(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeySYGZYJOATAIGGW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.81
Rot. Bonds5

About 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid

4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid (PubChem CID 114397998) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid
PubChem CID114397998
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid
SMILESCN(C)c1cnn(CCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C12H19N3O3/c1-12(2,11(17)18)5-6-15-10(16)7-9(8-13-15)14(3)4/h7-8H,5-6H2,1-4H3,(H,17,18)
InChIKeySYGZYJOATAIGGW-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid (CID 114397998) is 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid is CN(C)c1cnn(CCC(C)(C)C(=O)O)c(=O)c1.
What is the InChIKey of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid?
The InChIKey is SYGZYJOATAIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,11(17)18)5-6-15-10(16)7-9(8-13-15)14(3)4/h7-8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid?
4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 114397998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).