1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid

C8H9N3O3 — CID 91812146

IUPAC1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C8H9N3O3/c12-7-1-6(2-9-10-7)11-3-5(4-11)8(13)14/h1-2,5H,3-4H2,(H,10,12)(H,13,14)
InChIKeyHVTLHCPCQDFOKC-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.71
Rot. Bonds2

About 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid

1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid (PubChem CID 91812146) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid
PubChem CID91812146
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C8H9N3O3/c12-7-1-6(2-9-10-7)11-3-5(4-11)8(13)14/h1-2,5H,3-4H2,(H,10,12)(H,13,14)
InChIKeyHVTLHCPCQDFOKC-UHFFFAOYSA-N
XLogP-0.71
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid (CID 91812146) is 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid is O=C(O)C1CN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid?
The InChIKey is HVTLHCPCQDFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-1-6(2-9-10-7)11-3-5(4-11)8(13)14/h1-2,5H,3-4H2,(H,10,12)(H,13,14).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid?
1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 91812146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).