1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C11H19N3O3 — CID 43563800

IUPAC1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCN(CC)CCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O3/c1-3-13(4-2)7-8-14-10(15)6-5-9(12-14)11(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyGLHTWOKZWGNUTO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.39
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 43563800) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID43563800
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCN(CC)CCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O3/c1-3-13(4-2)7-8-14-10(15)6-5-9(12-14)11(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyGLHTWOKZWGNUTO-UHFFFAOYSA-N
XLogP0.39
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 43563800) is 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is CCN(CC)CCN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is GLHTWOKZWGNUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-13(4-2)7-8-14-10(15)6-5-9(12-14)11(16)17/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 43563800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).