1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

C9H11BrF3N3O — CID 164536686

IUPAC1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cnc(OC)c(Br)n1)C(F)(F)F
InChIInChI=1S/C9H11BrF3N3O/c1-3-14-6(9(11,12)13)5-4-15-8(17-2)7(10)16-5/h4,6,14H,3H2,1-2H3
InChIKeyAAYZGYKMILVTDU-UHFFFAOYSA-N
MW314.11 g/mol
LogP2.46
Rot. Bonds4

About 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 164536686) has the molecular formula C9H11BrF3N3O and a molecular weight of 314.11 g/mol. Its IUPAC name is 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID164536686
Molecular FormulaC9H11BrF3N3O
Molecular Weight314.11 g/mol
Exact Mass313.00
IUPAC Name1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cnc(OC)c(Br)n1)C(F)(F)F
InChIInChI=1S/C9H11BrF3N3O/c1-3-14-6(9(11,12)13)5-4-15-8(17-2)7(10)16-5/h4,6,14H,3H2,1-2H3
InChIKeyAAYZGYKMILVTDU-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (CID 164536686) is 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1cnc(OC)c(Br)n1)C(F)(F)F.
What is the InChIKey of 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is AAYZGYKMILVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3N3O/c1-3-14-6(9(11,12)13)5-4-15-8(17-2)7(10)16-5/h4,6,14H,3H2,1-2H3.
What are the key properties of 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 314.11 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-methoxypyrazin-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 164536686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).