3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C13H6F6N4O — CID 142362306

IUPAC3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1
InChIInChI=1S/C13H6F6N4O/c14-8-3-6(24-13(17,18)19)1-2-7(8)9-5-23-10(4-20-9)21-22-12(23)11(15)16/h1-5,11H
InChIKeyAQWIDSPLLBMOOB-UHFFFAOYSA-N
MW348.21 g/mol
LogP3.77
Rot. Bonds3

About 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362306) has the molecular formula C13H6F6N4O and a molecular weight of 348.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142362306
Molecular FormulaC13H6F6N4O
Molecular Weight348.21 g/mol
Exact Mass348.04
IUPAC Name3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1
InChIInChI=1S/C13H6F6N4O/c14-8-3-6(24-13(17,18)19)1-2-7(8)9-5-23-10(4-20-9)21-22-12(23)11(15)16/h1-5,11H
InChIKeyAQWIDSPLLBMOOB-UHFFFAOYSA-N
XLogP3.77
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362306) is 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(OC(F)(F)F)ccc1-c1cn2c(C(F)F)nnc2cn1.
What is the InChIKey of 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AQWIDSPLLBMOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N4O/c14-8-3-6(24-13(17,18)19)1-2-7(8)9-5-23-10(4-20-9)21-22-12(23)11(15)16/h1-5,11H.
What are the key properties of 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 348.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).