3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid

C9H8ClN5O3 — CID 169100031

IUPAC3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(n2c(=O)[nH]c3nnc(Cl)cc32)C1
InChIInChI=1S/C9H8ClN5O3/c10-6-1-5-7(13-12-6)11-8(16)15(5)4-2-14(3-4)9(17)18/h1,4H,2-3H2,(H,17,18)(H,11,13,16)
InChIKeyAYEWRTRZTIXIGJ-UHFFFAOYSA-N
MW269.65 g/mol
LogP0.31
Rot. Bonds1

About 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid

3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid (PubChem CID 169100031) has the molecular formula C9H8ClN5O3 and a molecular weight of 269.65 g/mol. Its IUPAC name is 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid
PubChem CID169100031
Molecular FormulaC9H8ClN5O3
Molecular Weight269.65 g/mol
Exact Mass269.03
IUPAC Name3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(n2c(=O)[nH]c3nnc(Cl)cc32)C1
InChIInChI=1S/C9H8ClN5O3/c10-6-1-5-7(13-12-6)11-8(16)15(5)4-2-14(3-4)9(17)18/h1,4H,2-3H2,(H,17,18)(H,11,13,16)
InChIKeyAYEWRTRZTIXIGJ-UHFFFAOYSA-N
XLogP0.31
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid with MolForge

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Related Compounds

3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
CID 117272907
3-Chloro-5,7-dimethylimidazo[4,5-c]pyridazin-6-one
CID 117272908
(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 129161556
tert-butyl 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylate
CID 163374258
3-chloro-5-methyl-7H-imidazo[4,5-c]pyridazin-6-one
CID 170722682
3-Chloro-7-methyl-5-propan-2-ylimidazo[4,5-c]pyridazin-6-one
CID 170722684
3-chloro-5-propan-2-yl-7H-imidazo[4,5-c]pyridazin-6-one
CID 170722690
3-chloro-7-pentan-3-yl-5H-imidazo[4,5-c]pyridazin-6-one
CID 177978648
3-Chloro-5,7-dihydroimidazo[4,5-c]pyridazin-6-one
CID 117272906

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid (CID 169100031) is 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(n2c(=O)[nH]c3nnc(Cl)cc32)C1.
What is the InChIKey of 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid?
The InChIKey is AYEWRTRZTIXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O3/c10-6-1-5-7(13-12-6)11-8(16)15(5)4-2-14(3-4)9(17)18/h1,4H,2-3H2,(H,17,18)(H,11,13,16).
What are the key properties of 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid?
3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid has a molecular weight of 269.65 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 169100031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).