1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione

C12H15N3O4 — CID 139772200

IUPAC1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione
SMILESO=C(CCC(=O)N1CC(O)C1)Cn1ncccc1=O
InChIInChI=1S/C12H15N3O4/c16-9(8-15-12(19)2-1-5-13-15)3-4-11(18)14-6-10(17)7-14/h1-2,5,10,17H,3-4,6-8H2
InChIKeyDECKLYKMJMUYCY-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.20
Rot. Bonds5

About 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione

1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione (PubChem CID 139772200) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione
PubChem CID139772200
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione
SMILESO=C(CCC(=O)N1CC(O)C1)Cn1ncccc1=O
InChIInChI=1S/C12H15N3O4/c16-9(8-15-12(19)2-1-5-13-15)3-4-11(18)14-6-10(17)7-14/h1-2,5,10,17H,3-4,6-8H2
InChIKeyDECKLYKMJMUYCY-UHFFFAOYSA-N
XLogP-1.20
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
CID 104751389
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 126851060
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184
2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 124892826
3-(6-oxopyridazin-1-yl)propanoic acid
CID 62850301
2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
CID 121178227
2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
CID 122331787
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione (CID 139772200) is 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione is O=C(CCC(=O)N1CC(O)C1)Cn1ncccc1=O.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione?
The InChIKey is DECKLYKMJMUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-9(8-15-12(19)2-1-5-13-15)3-4-11(18)14-6-10(17)7-14/h1-2,5,10,17H,3-4,6-8H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione?
1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione has a molecular weight of 265.27 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-5-(6-oxopyridazin-1-yl)pentane-1,4-dione is sourced from PubChem (CID 139772200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).