3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid

C11H16N2O3 — CID 62702092

IUPAC3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC(C)Oc1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-5-6(2)16-10-9(11(14)15)7(3)8(4)12-13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyVAJJSRDSRYRVRL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.97
Rot. Bonds4

About 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid

3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62702092) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62702092
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC(C)Oc1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-5-6(2)16-10-9(11(14)15)7(3)8(4)12-13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyVAJJSRDSRYRVRL-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid (CID 62702092) is 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid is CCC(C)Oc1nnc(C)c(C)c1C(=O)O.
What is the InChIKey of 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is VAJJSRDSRYRVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-6(2)16-10-9(11(14)15)7(3)8(4)12-13-10/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid?
3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62702092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).