7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C12H13F3N6O — CID 71968409

IUPAC7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C12H13F3N6O/c1-2-22-10-6-16-5-8(17-10)20-3-4-21-9(7-20)18-19-11(21)12(13,14)15/h5-6H,2-4,7H2,1H3
InChIKeyYNGDDMNHQZLMDL-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.51
Rot. Bonds3

About 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71968409) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71968409
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C12H13F3N6O/c1-2-22-10-6-16-5-8(17-10)20-3-4-21-9(7-20)18-19-11(21)12(13,14)15/h5-6H,2-4,7H2,1H3
InChIKeyYNGDDMNHQZLMDL-UHFFFAOYSA-N
XLogP1.51
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 71968409) is 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCOc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YNGDDMNHQZLMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O/c1-2-22-10-6-16-5-8(17-10)20-3-4-21-9(7-20)18-19-11(21)12(13,14)15/h5-6H,2-4,7H2,1H3.
What are the key properties of 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 314.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-ethoxypyrazin-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71968409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).