2-oxo-2-(pyridazin-4-ylamino)acetic acid

C6H5N3O3 — CID 141357871

IUPAC2-oxo-2-(pyridazin-4-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1ccnnc1
InChIInChI=1S/C6H5N3O3/c10-5(6(11)12)9-4-1-2-7-8-3-4/h1-3H,(H,11,12)(H,7,9,10)
InChIKeyLWHBNRYEYQBYDG-UHFFFAOYSA-N
MW167.12 g/mol
LogP-0.50
Rot. Bonds1

About 2-oxo-2-(pyridazin-4-ylamino)acetic acid

2-oxo-2-(pyridazin-4-ylamino)acetic acid (PubChem CID 141357871) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is 2-oxo-2-(pyridazin-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(pyridazin-4-ylamino)acetic acid
PubChem CID141357871
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Name2-oxo-2-(pyridazin-4-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1ccnnc1
InChIInChI=1S/C6H5N3O3/c10-5(6(11)12)9-4-1-2-7-8-3-4/h1-3H,(H,11,12)(H,7,9,10)
InChIKeyLWHBNRYEYQBYDG-UHFFFAOYSA-N
XLogP-0.50
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(pyridazin-4-ylamino)acetic acid?
The IUPAC name of 2-oxo-2-(pyridazin-4-ylamino)acetic acid (CID 141357871) is 2-oxo-2-(pyridazin-4-ylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(pyridazin-4-ylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(pyridazin-4-ylamino)acetic acid is O=C(O)C(=O)Nc1ccnnc1.
What is the InChIKey of 2-oxo-2-(pyridazin-4-ylamino)acetic acid?
The InChIKey is LWHBNRYEYQBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c10-5(6(11)12)9-4-1-2-7-8-3-4/h1-3H,(H,11,12)(H,7,9,10).
What are the key properties of 2-oxo-2-(pyridazin-4-ylamino)acetic acid?
2-oxo-2-(pyridazin-4-ylamino)acetic acid has a molecular weight of 167.12 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(pyridazin-4-ylamino)acetic acid is sourced from PubChem (CID 141357871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).