5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C7H5F3N4O — CID 118136403

IUPAC5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cncc2nnc(C(F)(F)F)n12
InChIInChI=1S/C7H5F3N4O/c1-15-5-3-11-2-4-12-13-6(14(4)5)7(8,9)10/h2-3H,1H3
InChIKeyAJLCRZVYHIHTPX-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.15
Rot. Bonds1

About 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118136403) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118136403
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cncc2nnc(C(F)(F)F)n12
InChIInChI=1S/C7H5F3N4O/c1-15-5-3-11-2-4-12-13-6(14(4)5)7(8,9)10/h2-3H,1H3
InChIKeyAJLCRZVYHIHTPX-UHFFFAOYSA-N
XLogP1.15
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 118136403) is 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is COc1cncc2nnc(C(F)(F)F)n12.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AJLCRZVYHIHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-15-5-3-11-2-4-12-13-6(14(4)5)7(8,9)10/h2-3H,1H3.
What are the key properties of 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 218.14 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118136403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).