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

C12H17F3N4O — CID 62938335

IUPAC1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NCC2CCN(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-16-10(11(18)20)17-6-9-2-4-19(7-9)8-12(13,14)15/h3,5,9H,2,4,6-8H2,1H3,(H,16,17)
InChIKeyUBKXMOBPDDSIPB-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.08
Rot. Bonds4

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

1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one (PubChem CID 62938335) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
PubChem CID62938335
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NCC2CCN(CC(F)(F)F)C2)c1=O
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-16-10(11(18)20)17-6-9-2-4-19(7-9)8-12(13,14)15/h3,5,9H,2,4,6-8H2,1H3,(H,16,17)
InChIKeyUBKXMOBPDDSIPB-UHFFFAOYSA-N
XLogP1.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one (CID 62938335) is 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one is Cn1ccnc(NCC2CCN(CC(F)(F)F)C2)c1=O.
What is the InChIKey of 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
The InChIKey is UBKXMOBPDDSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-5-3-16-10(11(18)20)17-6-9-2-4-19(7-9)8-12(13,14)15/h3,5,9H,2,4,6-8H2,1H3,(H,16,17).
What are the key properties of 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one?
1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one has a molecular weight of 290.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 62938335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).