6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine

C19H16F3N3O — CID 69274655

IUPAC6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCOc1ccc(-c2cncc(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H16F3N3O/c1-2-26-16-8-6-13(7-9-16)17-11-23-12-18(25-17)24-15-5-3-4-14(10-15)19(20,21)22/h3-12H,2H2,1H3,(H,24,25)
InChIKeyICHWROLGBOQBAD-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.30
Rot. Bonds5

About 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 69274655) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID69274655
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCCOc1ccc(-c2cncc(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H16F3N3O/c1-2-26-16-8-6-13(7-9-16)17-11-23-12-18(25-17)24-15-5-3-4-14(10-15)19(20,21)22/h3-12H,2H2,1H3,(H,24,25)
InChIKeyICHWROLGBOQBAD-UHFFFAOYSA-N
XLogP5.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 69274655) is 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine is CCOc1ccc(-c2cncc(Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is ICHWROLGBOQBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-2-26-16-8-6-13(7-9-16)17-11-23-12-18(25-17)24-15-5-3-4-14(10-15)19(20,21)22/h3-12H,2H2,1H3,(H,24,25).
What are the key properties of 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 359.35 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 69274655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).