3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid

C13H19N3O2 — CID 63219008

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N2CCCC2(C)C)c(C(=O)O)c1C
InChIInChI=1S/C13H19N3O2/c1-8-9(2)14-15-11(10(8)12(17)18)16-7-5-6-13(16,3)4/h5-7H2,1-4H3,(H,17,18)
InChIKeyNKOXRFTVZXSHOS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds2

About 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid

3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 63219008) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID63219008
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N2CCCC2(C)C)c(C(=O)O)c1C
InChIInChI=1S/C13H19N3O2/c1-8-9(2)14-15-11(10(8)12(17)18)16-7-5-6-13(16,3)4/h5-7H2,1-4H3,(H,17,18)
InChIKeyNKOXRFTVZXSHOS-UHFFFAOYSA-N
XLogP2.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid (CID 63219008) is 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(N2CCCC2(C)C)c(C(=O)O)c1C.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is NKOXRFTVZXSHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-9(2)14-15-11(10(8)12(17)18)16-7-5-6-13(16,3)4/h5-7H2,1-4H3,(H,17,18).
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 63219008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).