1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one

C12H20N4O — CID 55156421

IUPAC1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCN2CCCC2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-16-10-6-14-11(12(16)17)13-5-9-15-7-3-4-8-15/h6,10H,2-5,7-9H2,1H3,(H,13,14)
InChIKeySKFOABKVSHZECH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.77
Rot. Bonds5

About 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one

1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one (PubChem CID 55156421) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one
PubChem CID55156421
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCN2CCCC2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-16-10-6-14-11(12(16)17)13-5-9-15-7-3-4-8-15/h6,10H,2-5,7-9H2,1H3,(H,13,14)
InChIKeySKFOABKVSHZECH-UHFFFAOYSA-N
XLogP0.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one (CID 55156421) is 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one is CCn1ccnc(NCCN2CCCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one?
The InChIKey is SKFOABKVSHZECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-10-6-14-11(12(16)17)13-5-9-15-7-3-4-8-15/h6,10H,2-5,7-9H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one?
1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-pyrrolidin-1-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 55156421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).