N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine

C9H12F3N3O — CID 103057969

IUPACN-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
SMILESCCNc1cnc(COCC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O/c1-2-13-8-4-14-7(3-15-8)5-16-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,15)
InChIKeyAFXOHQBZUPOOIW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.99
Rot. Bonds5

About N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine

N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine (PubChem CID 103057969) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
PubChem CID103057969
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
SMILESCCNc1cnc(COCC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O/c1-2-13-8-4-14-7(3-15-8)5-16-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,15)
InChIKeyAFXOHQBZUPOOIW-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine (CID 103057969) is N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine is CCNc1cnc(COCC(F)(F)F)cn1.
What is the InChIKey of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine?
The InChIKey is AFXOHQBZUPOOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-13-8-4-14-7(3-15-8)5-16-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,15).
What are the key properties of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine?
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine has a molecular weight of 235.21 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103057969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).