3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid

C13H19N3O2 — CID 80517336

IUPAC3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
SMILESCCC1(CC)CCN(c2nnccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-3-13(4-2)6-8-16(9-13)11-10(12(17)18)5-7-14-15-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyRDRUUJHFAOGFIZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds4

About 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid

3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 80517336) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
PubChem CID80517336
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
SMILESCCC1(CC)CCN(c2nnccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-3-13(4-2)6-8-16(9-13)11-10(12(17)18)5-7-14-15-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyRDRUUJHFAOGFIZ-UHFFFAOYSA-N
XLogP2.19
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid (CID 80517336) is 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid is CCC1(CC)CCN(c2nnccc2C(=O)O)C1.
What is the InChIKey of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is RDRUUJHFAOGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-13(4-2)6-8-16(9-13)11-10(12(17)18)5-7-14-15-11/h5,7H,3-4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid?
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).