5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid

C11H16N2O3 — CID 62703420

IUPAC5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid
SMILESCc1nnc(OCC(C)C)c(C(=O)O)c1C
InChIInChI=1S/C11H16N2O3/c1-6(2)5-16-10-9(11(14)15)7(3)8(4)12-13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyLVXFMSIROFBRRA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.83
Rot. Bonds4

About 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid (PubChem CID 62703420) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid
PubChem CID62703420
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid
SMILESCc1nnc(OCC(C)C)c(C(=O)O)c1C
InChIInChI=1S/C11H16N2O3/c1-6(2)5-16-10-9(11(14)15)7(3)8(4)12-13-10/h6H,5H2,1-4H3,(H,14,15)
InChIKeyLVXFMSIROFBRRA-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid (CID 62703420) is 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid is Cc1nnc(OCC(C)C)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid?
The InChIKey is LVXFMSIROFBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)5-16-10-9(11(14)15)7(3)8(4)12-13-10/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-methylpropoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 62703420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).