6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid

C10H14N2O4 — CID 103487109

IUPAC6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid
SMILESCCOCC(C)Oc1ccc(C(=O)O)nn1
InChIInChI=1S/C10H14N2O4/c1-3-15-6-7(2)16-9-5-4-8(10(13)14)11-12-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyJYHMADURRAPPDX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.98
Rot. Bonds6

About 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid

6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid (PubChem CID 103487109) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid
PubChem CID103487109
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid
SMILESCCOCC(C)Oc1ccc(C(=O)O)nn1
InChIInChI=1S/C10H14N2O4/c1-3-15-6-7(2)16-9-5-4-8(10(13)14)11-12-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyJYHMADURRAPPDX-UHFFFAOYSA-N
XLogP0.98
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid (CID 103487109) is 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid is CCOCC(C)Oc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid?
The InChIKey is JYHMADURRAPPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-15-6-7(2)16-9-5-4-8(10(13)14)11-12-9/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid?
6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 103487109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).