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

C10H14F3N3O2 — CID 63827549

IUPAC1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
SMILESCCn1ccnc(NCCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-16-5-3-14-8(9(16)17)15-4-6-18-7-10(11,12)13/h3,5H,2,4,6-7H2,1H3,(H,14,15)
InChIKeyQNRHIEUPXJUGQA-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.25
Rot. Bonds6

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

1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one (PubChem CID 63827549) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
PubChem CID63827549
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
SMILESCCn1ccnc(NCCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-16-5-3-14-8(9(16)17)15-4-6-18-7-10(11,12)13/h3,5H,2,4,6-7H2,1H3,(H,14,15)
InChIKeyQNRHIEUPXJUGQA-UHFFFAOYSA-N
XLogP1.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one (CID 63827549) is 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one is CCn1ccnc(NCCOCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
The InChIKey is QNRHIEUPXJUGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-16-5-3-14-8(9(16)17)15-4-6-18-7-10(11,12)13/h3,5H,2,4,6-7H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one?
1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one has a molecular weight of 265.23 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one is sourced from PubChem (CID 63827549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).