1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one

C13H20N4O — CID 62927230

IUPAC1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC2CCN3CCCC23)c1=O
InChIInChI=1S/C13H20N4O/c1-2-16-9-6-14-12(13(16)18)15-10-5-8-17-7-3-4-11(10)17/h6,9-11H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyVIROPMYZODKWQQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.91
Rot. Bonds3

About 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one

1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one (PubChem CID 62927230) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
PubChem CID62927230
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC2CCN3CCCC23)c1=O
InChIInChI=1S/C13H20N4O/c1-2-16-9-6-14-12(13(16)18)15-10-5-8-17-7-3-4-11(10)17/h6,9-11H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyVIROPMYZODKWQQ-UHFFFAOYSA-N
XLogP0.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one (CID 62927230) is 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one is CCn1ccnc(NC2CCN3CCCC23)c1=O.
What is the InChIKey of 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one?
The InChIKey is VIROPMYZODKWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-16-9-6-14-12(13(16)18)15-10-5-8-17-7-3-4-11(10)17/h6,9-11H,2-5,7-8H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one?
1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one is sourced from PubChem (CID 62927230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).