2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid

C10H13N3O4 — CID 121205046

IUPAC2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C10H13N3O4/c14-10(15)7-17-9-2-1-8(11-12-9)13-3-5-16-6-4-13/h1-2H,3-7H2,(H,14,15)
InChIKeyAYKVITLFBPQTDX-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.22
Rot. Bonds4

About 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid

2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid (PubChem CID 121205046) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid
PubChem CID121205046
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C10H13N3O4/c14-10(15)7-17-9-2-1-8(11-12-9)13-3-5-16-6-4-13/h1-2H,3-7H2,(H,14,15)
InChIKeyAYKVITLFBPQTDX-UHFFFAOYSA-N
XLogP-0.22
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid?
The IUPAC name of 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid (CID 121205046) is 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid is O=C(O)COc1ccc(N2CCOCC2)nn1.
What is the InChIKey of 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid?
The InChIKey is AYKVITLFBPQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-10(15)7-17-9-2-1-8(11-12-9)13-3-5-16-6-4-13/h1-2H,3-7H2,(H,14,15).
What are the key properties of 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid?
2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-ylpyridazin-3-yl)oxyacetic acid is sourced from PubChem (CID 121205046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).