6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid

C11H16N2O3 — CID 60791315

IUPAC6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid
SMILESCC(C)CC(C)Oc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H16N2O3/c1-7(2)6-8(3)16-10-5-4-9(11(14)15)12-13-10/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyVTTPZMFBIKDNOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.99
Rot. Bonds5

About 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid

6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid (PubChem CID 60791315) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid
PubChem CID60791315
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid
SMILESCC(C)CC(C)Oc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H16N2O3/c1-7(2)6-8(3)16-10-5-4-9(11(14)15)12-13-10/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyVTTPZMFBIKDNOO-UHFFFAOYSA-N
XLogP1.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid (CID 60791315) is 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid is CC(C)CC(C)Oc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid?
The InChIKey is VTTPZMFBIKDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)6-8(3)16-10-5-4-9(11(14)15)12-13-10/h4-5,7-8H,6H2,1-3H3,(H,14,15).
What are the key properties of 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid?
6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).