3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one

C11H17N3O2 — CID 53015106

IUPAC3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCOCC2)c1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)14-4-3-12-10(11(14)15)13-5-7-16-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyQADBHCBLULUDTN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.66
Rot. Bonds2

About 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one

3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one (PubChem CID 53015106) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one
PubChem CID53015106
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCOCC2)c1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)14-4-3-12-10(11(14)15)13-5-7-16-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyQADBHCBLULUDTN-UHFFFAOYSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one (CID 53015106) is 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCOCC2)c1=O.
What is the InChIKey of 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one?
The InChIKey is QADBHCBLULUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(2)14-4-3-12-10(11(14)15)13-5-7-16-8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one?
3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 53015106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).