1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one

C13H19F3N4O — CID 62938986

IUPAC1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCC2CCN(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C13H19F3N4O/c1-2-20-6-4-17-11(12(20)21)18-7-10-3-5-19(8-10)9-13(14,15)16/h4,6,10H,2-3,5,7-9H2,1H3,(H,17,18)
InChIKeyMLXNENHEPYZKJR-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.56
Rot. Bonds5

About 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one

1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one (PubChem CID 62938986) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
PubChem CID62938986
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCC2CCN(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C13H19F3N4O/c1-2-20-6-4-17-11(12(20)21)18-7-10-3-5-19(8-10)9-13(14,15)16/h4,6,10H,2-3,5,7-9H2,1H3,(H,17,18)
InChIKeyMLXNENHEPYZKJR-UHFFFAOYSA-N
XLogP1.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one (CID 62938986) is 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one is CCn1ccnc(NCC2CCN(CC(F)(F)F)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
The InChIKey is MLXNENHEPYZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-20-6-4-17-11(12(20)21)18-7-10-3-5-19(8-10)9-13(14,15)16/h4,6,10H,2-3,5,7-9H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one has a molecular weight of 304.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 62938986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).