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

C11H17N3O2S — CID 115661660

IUPAC3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CN(C(=O)C2=NNC(=O)CC2)CCS1
InChIInChI=1S/C11H17N3O2S/c1-2-8-7-14(5-6-17-8)11(16)9-3-4-10(15)13-12-9/h8H,2-7H2,1H3,(H,13,15)
InChIKeyCTARKLBYJLIIQP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.61
Rot. Bonds2

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

3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 115661660) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID115661660
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CN(C(=O)C2=NNC(=O)CC2)CCS1
InChIInChI=1S/C11H17N3O2S/c1-2-8-7-14(5-6-17-8)11(16)9-3-4-10(15)13-12-9/h8H,2-7H2,1H3,(H,13,15)
InChIKeyCTARKLBYJLIIQP-UHFFFAOYSA-N
XLogP0.61
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 115661660) is 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CCC1CN(C(=O)C2=NNC(=O)CC2)CCS1.
What is the InChIKey of 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CTARKLBYJLIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-8-7-14(5-6-17-8)11(16)9-3-4-10(15)13-12-9/h8H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 255.34 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 115661660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).