3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid

C10H14N2O3 — CID 117127052

IUPAC3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
SMILESCOc1nnc(CC(C)C)cc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-6(2)4-7-5-8(10(13)14)9(15-3)12-11-7/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyCFYIGSUOHDAVGS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.38
Rot. Bonds4

About 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid

3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid (PubChem CID 117127052) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
PubChem CID117127052
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
SMILESCOc1nnc(CC(C)C)cc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-6(2)4-7-5-8(10(13)14)9(15-3)12-11-7/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyCFYIGSUOHDAVGS-UHFFFAOYSA-N
XLogP1.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid (CID 117127052) is 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid is COc1nnc(CC(C)C)cc1C(=O)O.
What is the InChIKey of 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid?
The InChIKey is CFYIGSUOHDAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)4-7-5-8(10(13)14)9(15-3)12-11-7/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid?
3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).