3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C15H25N3O3 — CID 62702376

IUPAC3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC(CC)N(CCOC)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-6-12(7-2)18(8-9-21-5)14-13(15(19)20)10(3)11(4)16-17-14/h12H,6-9H2,1-5H3,(H,19,20)
InChIKeyXDMJUTHSDRHABR-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.43
Rot. Bonds8

About 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62702376) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62702376
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC(CC)N(CCOC)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-6-12(7-2)18(8-9-21-5)14-13(15(19)20)10(3)11(4)16-17-14/h12H,6-9H2,1-5H3,(H,19,20)
InChIKeyXDMJUTHSDRHABR-UHFFFAOYSA-N
XLogP2.43
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701856
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62702545
5,6-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]pyridazine-4-carboxylic acid
CID 81074322
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971115
3-[2-methoxyethyl(pentan-3-yl)amino]pyridazine-4-carbonitrile
CID 80510588
3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 114072484
3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine
CID 81050384
3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701675
6-(ethylaminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine
CID 62289229
[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol
CID 55038447

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 62702376) is 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is CCC(CC)N(CCOC)c1nnc(C)c(C)c1C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is XDMJUTHSDRHABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-6-12(7-2)18(8-9-21-5)14-13(15(19)20)10(3)11(4)16-17-14/h12H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pentan-3-yl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62702376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).