3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C18H10F5N5O2 — CID 134555622

IUPAC3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(Oc2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
InChIInChI=1S/C18H10F5N5O2/c19-11-1-3-12(4-2-11)30-17-27-26-15-7-24-14(8-28(15)17)10-5-13(20)16(25-6-10)29-9-18(21,22)23/h1-8H,9H2
InChIKeyQBYGDGYHCLQSGW-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.20
Rot. Bonds5

About 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555622) has the molecular formula C18H10F5N5O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555622
Molecular FormulaC18H10F5N5O2
Molecular Weight423.30 g/mol
Exact Mass423.08
IUPAC Name3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(Oc2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
InChIInChI=1S/C18H10F5N5O2/c19-11-1-3-12(4-2-11)30-17-27-26-15-7-24-14(8-28(15)17)10-5-13(20)16(25-6-10)29-9-18(21,22)23/h1-8H,9H2
InChIKeyQBYGDGYHCLQSGW-UHFFFAOYSA-N
XLogP4.20
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555622) is 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(Oc2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QBYGDGYHCLQSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N5O2/c19-11-1-3-12(4-2-11)30-17-27-26-15-7-24-14(8-28(15)17)10-5-13(20)16(25-6-10)29-9-18(21,22)23/h1-8H,9H2.
What are the key properties of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 423.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).