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

C9H13N3O3 — CID 43397844

IUPAC3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCOCC2)=NN1
InChIInChI=1S/C9H13N3O3/c13-8-2-1-7(10-11-8)9(14)12-3-5-15-6-4-12/h1-6H2,(H,11,13)
InChIKeyXIMYJHFXHDQEAX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.89
Rot. Bonds1

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

3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43397844) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43397844
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCOCC2)=NN1
InChIInChI=1S/C9H13N3O3/c13-8-2-1-7(10-11-8)9(14)12-3-5-15-6-4-12/h1-6H2,(H,11,13)
InChIKeyXIMYJHFXHDQEAX-UHFFFAOYSA-N
XLogP-0.89
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 43397844) is 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCOCC2)=NN1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XIMYJHFXHDQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-8-2-1-7(10-11-8)9(14)12-3-5-15-6-4-12/h1-6H2,(H,11,13).
What are the key properties of 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43397844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).