3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C10H15N3O3 — CID 43403019

IUPAC3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CN(C(=O)C2=NNC(=O)CC2)CCO1
InChIInChI=1S/C10H15N3O3/c1-7-6-13(4-5-16-7)10(15)8-2-3-9(14)12-11-8/h7H,2-6H2,1H3,(H,12,14)
InChIKeyPMANIEBWJBGKKW-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.50
Rot. Bonds1

About 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43403019) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43403019
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CN(C(=O)C2=NNC(=O)CC2)CCO1
InChIInChI=1S/C10H15N3O3/c1-7-6-13(4-5-16-7)10(15)8-2-3-9(14)12-11-8/h7H,2-6H2,1H3,(H,12,14)
InChIKeyPMANIEBWJBGKKW-UHFFFAOYSA-N
XLogP-0.50
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 43403019) is 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CC1CN(C(=O)C2=NNC(=O)CC2)CCO1.
What is the InChIKey of 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PMANIEBWJBGKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-6-13(4-5-16-7)10(15)8-2-3-9(14)12-11-8/h7H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43403019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).