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

C13H6F6N4O — CID 87178559

IUPAC6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C13H6F6N4O/c14-12(15,16)11-22-21-10-5-20-9(6-23(10)11)7-1-3-8(4-2-7)24-13(17,18)19/h1-6H
InChIKeyCVHMYXJRQRRLRW-UHFFFAOYSA-N
MW348.21 g/mol
LogP3.71
Rot. Bonds2

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

6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 87178559) has the molecular formula C13H6F6N4O and a molecular weight of 348.21 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID87178559
Molecular FormulaC13H6F6N4O
Molecular Weight348.21 g/mol
Exact Mass348.04
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1
InChIInChI=1S/C13H6F6N4O/c14-12(15,16)11-22-21-10-5-20-9(6-23(10)11)7-1-3-8(4-2-7)24-13(17,18)19/h1-6H
InChIKeyCVHMYXJRQRRLRW-UHFFFAOYSA-N
XLogP3.71
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 87178559) is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CVHMYXJRQRRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N4O/c14-12(15,16)11-22-21-10-5-20-9(6-23(10)11)7-1-3-8(4-2-7)24-13(17,18)19/h1-6H.
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 348.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 87178559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).