1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one

C12H20N4O2 — CID 55155258

IUPAC1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCN2CCOCC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-2-16-6-4-14-11(12(16)17)13-3-5-15-7-9-18-10-8-15/h4,6H,2-3,5,7-10H2,1H3,(H,13,14)
InChIKeyLURHJIZDHAUSJC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.01
Rot. Bonds5

About 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one

1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one (PubChem CID 55155258) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one
PubChem CID55155258
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCN2CCOCC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-2-16-6-4-14-11(12(16)17)13-3-5-15-7-9-18-10-8-15/h4,6H,2-3,5,7-10H2,1H3,(H,13,14)
InChIKeyLURHJIZDHAUSJC-UHFFFAOYSA-N
XLogP0.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one (CID 55155258) is 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one is CCn1ccnc(NCCN2CCOCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
The InChIKey is LURHJIZDHAUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-16-6-4-14-11(12(16)17)13-3-5-15-7-9-18-10-8-15/h4,6H,2-3,5,7-10H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one has a molecular weight of 252.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 55155258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).