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

C13H7F6N5O — CID 134555706

IUPAC3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C13H7F6N5O/c14-7-1-6(2-21-12(7)25-5-13(17,18)19)8-4-24-9(3-20-8)22-23-11(24)10(15)16/h1-4,10H,5H2
InChIKeyDGGTXQMFNHSORQ-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.20
Rot. Bonds4

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

3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555706) has the molecular formula C13H7F6N5O and a molecular weight of 363.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555706
Molecular FormulaC13H7F6N5O
Molecular Weight363.22 g/mol
Exact Mass363.06
IUPAC Name3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C13H7F6N5O/c14-7-1-6(2-21-12(7)25-5-13(17,18)19)8-4-24-9(3-20-8)22-23-11(24)10(15)16/h1-4,10H,5H2
InChIKeyDGGTXQMFNHSORQ-UHFFFAOYSA-N
XLogP3.20
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555706) is 3-(difluoromethyl)-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-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DGGTXQMFNHSORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N5O/c14-7-1-6(2-21-12(7)25-5-13(17,18)19)8-4-24-9(3-20-8)22-23-11(24)10(15)16/h1-4,10H,5H2.
What are the key properties of 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 363.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).