methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate

C7H6F3N3O2 — CID 70700533

IUPACmethyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)cnc1N
InChIInChI=1S/C7H6F3N3O2/c1-15-6(14)4-5(11)12-2-3(13-4)7(8,9)10/h2H,1H3,(H2,11,12)
InChIKeyGACGJMLOCBRYAL-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.86
Rot. Bonds1

About methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate

methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate (PubChem CID 70700533) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
PubChem CID70700533
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Namemethyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)cnc1N
InChIInChI=1S/C7H6F3N3O2/c1-15-6(14)4-5(11)12-2-3(13-4)7(8,9)10/h2H,1H3,(H2,11,12)
InChIKeyGACGJMLOCBRYAL-UHFFFAOYSA-N
XLogP0.86
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 3-aminopyrazinecarboxylate
CID 72669
3-Amino-2-pyrazinecarboxylic acid
CID 72656
Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester
CID 122709
Methyl 3-Amino-6-bromopyrazine-2-carboxylate
CID 227251
Methyl 5-fluoropyrazine-2-carboxylate
CID 465060
Methyl 3-amino-6-chloropyrazine-2-carboxylate
CID 824637
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
Methyl 5-aminopyrazine-2-carboxylate
CID 14536427
Methyl 3-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine-2-carboxylate
CID 129321624
Methyl 6-aminopyrazine-2-carboxylate
CID 44558107
Methyl 3-amino-6-methylpyrazine-2-carboxylate
CID 58840780

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate (CID 70700533) is methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate is COC(=O)c1nc(C(F)(F)F)cnc1N.
What is the InChIKey of methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate?
The InChIKey is GACGJMLOCBRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c1-15-6(14)4-5(11)12-2-3(13-4)7(8,9)10/h2H,1H3,(H2,11,12).
What are the key properties of methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate has a molecular weight of 221.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(trifluoromethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 70700533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).