2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine

C13H19F3N4O — CID 170259322

IUPAC2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESCCOCC1CNCC(C)N1c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4O/c1-3-21-8-10-5-17-4-9(2)20(10)12-7-18-11(6-19-12)13(14,15)16/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeySXGAYHOQHDQXGA-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.70
Rot. Bonds4

About 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine

2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 170259322) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID170259322
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESCCOCC1CNCC(C)N1c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4O/c1-3-21-8-10-5-17-4-9(2)20(10)12-7-18-11(6-19-12)13(14,15)16/h6-7,9-10,17H,3-5,8H2,1-2H3
InChIKeySXGAYHOQHDQXGA-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine 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 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine (CID 170259322) is 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine is CCOCC1CNCC(C)N1c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is SXGAYHOQHDQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-21-8-10-5-17-4-9(2)20(10)12-7-18-11(6-19-12)13(14,15)16/h6-7,9-10,17H,3-5,8H2,1-2H3.
What are the key properties of 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 304.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 170259322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).