2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C9H11N3O4 — CID 63105860

IUPAC2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CC(O)C1
InChIInChI=1S/C9H11N3O4/c13-6-3-11(4-6)9(16)5-12-8(15)2-1-7(14)10-12/h1-2,6,13H,3-5H2,(H,10,14)
InChIKeyDPUCTPJYTQBSNV-UHFFFAOYSA-N
MW225.20 g/mol
LogP-2.26
Rot. Bonds2

About 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 63105860) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID63105860
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CC(O)C1
InChIInChI=1S/C9H11N3O4/c13-6-3-11(4-6)9(16)5-12-8(15)2-1-7(14)10-12/h1-2,6,13H,3-5H2,(H,10,14)
InChIKeyDPUCTPJYTQBSNV-UHFFFAOYSA-N
XLogP-2.26
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107483404
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CID 43388954
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CID 43501159
CID 43501159
CID 43573293
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CID 43576696
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CID 54878646
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CID 54993292
CID 54993292
CID 60960706
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CID 61233604
CID 61233604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 63105860) is 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CC(O)C1.
What is the InChIKey of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is DPUCTPJYTQBSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-6-3-11(4-6)9(16)5-12-8(15)2-1-7(14)10-12/h1-2,6,13H,3-5H2,(H,10,14).
What are the key properties of 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 225.20 g/mol, XLogP of -2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63105860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).