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

C12H7F4N5O — CID 134544005

IUPAC6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3cnnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C12H7F4N5O/c13-8-1-7(2-18-11(8)22-5-12(14,15)16)9-4-21-6-19-20-10(21)3-17-9/h1-4,6H,5H2
InChIKeyKRTDWVHJYILGEU-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.27
Rot. Bonds3

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

6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134544005) has the molecular formula C12H7F4N5O and a molecular weight of 313.21 g/mol. Its IUPAC name is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134544005
Molecular FormulaC12H7F4N5O
Molecular Weight313.21 g/mol
Exact Mass313.06
IUPAC Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3cnnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C12H7F4N5O/c13-8-1-7(2-18-11(8)22-5-12(14,15)16)9-4-21-6-19-20-10(21)3-17-9/h1-4,6H,5H2
InChIKeyKRTDWVHJYILGEU-UHFFFAOYSA-N
XLogP2.27
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 134544005) is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2cn3cnnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KRTDWVHJYILGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N5O/c13-8-1-7(2-18-11(8)22-5-12(14,15)16)9-4-21-6-19-20-10(21)3-17-9/h1-4,6H,5H2.
What are the key properties of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 313.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134544005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).