1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one

C11H14F3N3O2 — CID 63828440

IUPAC1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCOCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-19-6-4-16-9-10(18)17(5-3-15-9)8-1-2-8/h3,5,8H,1-2,4,6-7H2,(H,15,16)
InChIKeyOKZFYZHAZRWQQH-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.57
Rot. Bonds6

About 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one

1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one (PubChem CID 63828440) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
PubChem CID63828440
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCOCC(F)(F)F)nccn1C1CC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-19-6-4-16-9-10(18)17(5-3-15-9)8-1-2-8/h3,5,8H,1-2,4,6-7H2,(H,15,16)
InChIKeyOKZFYZHAZRWQQH-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938253
1-Cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 63226731
1-Methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63826672
1-(2-Methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63827024
1-Tert-butyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63827202
1-Ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63827549
1-Propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63827734
1-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63828797
3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
CID 103081364
3-[2-(2,2-Difluoroethoxy)ethylamino]-1-ethylpyrazin-2-one
CID 103081386
3-[2-(2,2-Difluoroethoxy)ethylamino]-1-methylpyrazin-2-one
CID 103081615
3-[2-(2,2-Difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 103081625

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one (CID 63828440) is 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one is O=c1c(NCCOCC(F)(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
The InChIKey is OKZFYZHAZRWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)7-19-6-4-16-9-10(18)17(5-3-15-9)8-1-2-8/h3,5,8H,1-2,4,6-7H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one has a molecular weight of 277.25 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one is sourced from PubChem (CID 63828440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).