ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate

C9H7F6N3O2 — CID 86657667

IUPACethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N
InChIInChI=1S/C9H7F6N3O2/c1-2-20-7(19)3-6(16)18-5(9(13,14)15)4(17-3)8(10,11)12/h2H2,1H3,(H2,16,18)
InChIKeyABXBYOXXOQGISX-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.27
Rot. Bonds2

About ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate

ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate (PubChem CID 86657667) has the molecular formula C9H7F6N3O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
PubChem CID86657667
Molecular FormulaC9H7F6N3O2
Molecular Weight303.16 g/mol
Exact Mass303.04
IUPAC Nameethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N
InChIInChI=1S/C9H7F6N3O2/c1-2-20-7(19)3-6(16)18-5(9(13,14)15)4(17-3)8(10,11)12/h2H2,1H3,(H2,16,18)
InChIKeyABXBYOXXOQGISX-UHFFFAOYSA-N
XLogP2.27
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-5,6-bis(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

diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
ethyl 2-ethyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
CID 95498234
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
CID 105481585
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505
ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate
CID 135030027
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
ethyl 4-amino-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 125041878
ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 122508431
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate?
The IUPAC name of ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate (CID 86657667) is ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate is CCOC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N.
What is the InChIKey of ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate?
The InChIKey is ABXBYOXXOQGISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N3O2/c1-2-20-7(19)3-6(16)18-5(9(13,14)15)4(17-3)8(10,11)12/h2H2,1H3,(H2,16,18).
What are the key properties of ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate?
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate has a molecular weight of 303.16 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 86657667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).