3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C12H19F2N3O2 — CID 103081625

IUPAC3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCOCC(F)F)c1=O
InChIInChI=1S/C12H19F2N3O2/c1-9(2)7-17-5-3-15-11(12(17)18)16-4-6-19-8-10(13)14/h3,5,9-10H,4,6-8H2,1-2H3,(H,15,16)
InChIKeyIYEAAQLJOUHSHD-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.59
Rot. Bonds8

About 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 103081625) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID103081625
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCOCC(F)F)c1=O
InChIInChI=1S/C12H19F2N3O2/c1-9(2)7-17-5-3-15-11(12(17)18)16-4-6-19-8-10(13)14/h3,5,9-10H,4,6-8H2,1-2H3,(H,15,16)
InChIKeyIYEAAQLJOUHSHD-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)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 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 103081625) is 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCCOCC(F)F)c1=O.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is IYEAAQLJOUHSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-9(2)7-17-5-3-15-11(12(17)18)16-4-6-19-8-10(13)14/h3,5,9-10H,4,6-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 275.30 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 103081625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).