ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate

C8H8F3N3O2 — CID 58442356

IUPACethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)nc1N
InChIInChI=1S/C8H8F3N3O2/c1-2-16-7(15)5-6(12)14-4(3-13-5)8(9,10)11/h3H,2H2,1H3,(H2,12,14)
InChIKeyUKEZFUPURWWKBR-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.25
Rot. Bonds2

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

ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate (PubChem CID 58442356) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate
PubChem CID58442356
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Nameethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)nc1N
InChIInChI=1S/C8H8F3N3O2/c1-2-16-7(15)5-6(12)14-4(3-13-5)8(9,10)11/h3H,2H2,1H3,(H2,12,14)
InChIKeyUKEZFUPURWWKBR-UHFFFAOYSA-N
XLogP1.25
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate (CID 58442356) is ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate is CCOC(=O)c1ncc(C(F)(F)F)nc1N.
What is the InChIKey of ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate?
The InChIKey is UKEZFUPURWWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-2-16-7(15)5-6(12)14-4(3-13-5)8(9,10)11/h3H,2H2,1H3,(H2,12,14).
What are the key properties of ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate?
ethyl 3-amino-5-(trifluoromethyl)pyrazine-2-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.25, 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-(trifluoromethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 58442356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).