2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid

C10H15N3O3 — CID 121206233

IUPAC2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid
SMILESCCN(CC)c1ccc(OCC(=O)O)nn1
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)8-5-6-9(12-11-8)16-7-10(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyWCYFATCITCSNLQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.79
Rot. Bonds6

About 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid

2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid (PubChem CID 121206233) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid
PubChem CID121206233
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid
SMILESCCN(CC)c1ccc(OCC(=O)O)nn1
InChIInChI=1S/C10H15N3O3/c1-3-13(4-2)8-5-6-9(12-11-8)16-7-10(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyWCYFATCITCSNLQ-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid?
The IUPAC name of 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid (CID 121206233) is 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid is CCN(CC)c1ccc(OCC(=O)O)nn1.
What is the InChIKey of 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid?
The InChIKey is WCYFATCITCSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(4-2)8-5-6-9(12-11-8)16-7-10(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid?
2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylamino)pyridazin-3-yl]oxyacetic acid is sourced from PubChem (CID 121206233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).