3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C8H11N3O3 — CID 63106781

IUPAC3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CC(O)C2)=NN1
InChIInChI=1S/C8H11N3O3/c12-5-3-11(4-5)8(14)6-1-2-7(13)10-9-6/h5,12H,1-4H2,(H,10,13)
InChIKeyYPUJEIWHFWKVPL-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.54
Rot. Bonds1

About 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 63106781) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID63106781
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CC(O)C2)=NN1
InChIInChI=1S/C8H11N3O3/c12-5-3-11(4-5)8(14)6-1-2-7(13)10-9-6/h5,12H,1-4H2,(H,10,13)
InChIKeyYPUJEIWHFWKVPL-UHFFFAOYSA-N
XLogP-1.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 63106781) is 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CC(O)C2)=NN1.
What is the InChIKey of 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YPUJEIWHFWKVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-5-3-11(4-5)8(14)6-1-2-7(13)10-9-6/h5,12H,1-4H2,(H,10,13).
What are the key properties of 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 197.19 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 63106781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).