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

C15H9F5N4 — CID 134555490

IUPAC6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3)cn12
InChIInChI=1S/C15H9F5N4/c16-14(17)5-10(14)8-1-3-9(4-2-8)11-7-24-12(6-21-11)22-23-13(24)15(18,19)20/h1-4,6-7,10H,5H2/t10-/m1/s1
InChIKeyJEOUIAHAZQGXMO-SNVBAGLBSA-N
MW340.26 g/mol
LogP3.93
Rot. Bonds2

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

6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555490) has the molecular formula C15H9F5N4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555490
Molecular FormulaC15H9F5N4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3)cn12
InChIInChI=1S/C15H9F5N4/c16-14(17)5-10(14)8-1-3-9(4-2-8)11-7-24-12(6-21-11)22-23-13(24)15(18,19)20/h1-4,6-7,10H,5H2/t10-/m1/s1
InChIKeyJEOUIAHAZQGXMO-SNVBAGLBSA-N
XLogP3.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555490) is 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3)cn12.
What is the InChIKey of 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JEOUIAHAZQGXMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H9F5N4/c16-14(17)5-10(14)8-1-3-9(4-2-8)11-7-24-12(6-21-11)22-23-13(24)15(18,19)20/h1-4,6-7,10H,5H2/t10-/m1/s1.
What are the key properties of 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 340.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).