2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid

C13H19N3O3 — CID 57157648

IUPAC2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)C(=O)c1ccc(N(C)C)nn1
InChIInChI=1S/C13H19N3O3/c1-5-13(6-2,12(18)19)11(17)9-7-8-10(15-14-9)16(3)4/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyGUZLEAAABXEWEG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds6

About 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid

2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid (PubChem CID 57157648) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid
PubChem CID57157648
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)C(=O)c1ccc(N(C)C)nn1
InChIInChI=1S/C13H19N3O3/c1-5-13(6-2,12(18)19)11(17)9-7-8-10(15-14-9)16(3)4/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyGUZLEAAABXEWEG-UHFFFAOYSA-N
XLogP1.62
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid (CID 57157648) is 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid is CCC(CC)(C(=O)O)C(=O)c1ccc(N(C)C)nn1.
What is the InChIKey of 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid?
The InChIKey is GUZLEAAABXEWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-13(6-2,12(18)19)11(17)9-7-8-10(15-14-9)16(3)4/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid?
2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid is sourced from PubChem (CID 57157648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).