6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane

C15H15BrF2N4 — CID 171526292

IUPAC6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane
SMILESCC.Cc1cc(F)c(Cc2nc(Br)cn3ncnc23)cc1F
InChIInChI=1S/C13H9BrF2N4.C2H6/c1-7-2-10(16)8(3-9(7)15)4-11-13-17-6-18-20(13)5-12(14)19-11;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyWNUMOABXQAJKJW-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.09
Rot. Bonds2

About 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane

6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane (PubChem CID 171526292) has the molecular formula C15H15BrF2N4 and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane.

Molecular Properties

Compound Name6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane
PubChem CID171526292
Molecular FormulaC15H15BrF2N4
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane
SMILESCC.Cc1cc(F)c(Cc2nc(Br)cn3ncnc23)cc1F
InChIInChI=1S/C13H9BrF2N4.C2H6/c1-7-2-10(16)8(3-9(7)15)4-11-13-17-6-18-20(13)5-12(14)19-11;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyWNUMOABXQAJKJW-UHFFFAOYSA-N
XLogP4.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The IUPAC name of 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane (CID 171526292) is 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane.
What is the SMILES notation for 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The canonical SMILES for 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane is CC.Cc1cc(F)c(Cc2nc(Br)cn3ncnc23)cc1F.
What is the InChIKey of 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
The InChIKey is WNUMOABXQAJKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N4.C2H6/c1-7-2-10(16)8(3-9(7)15)4-11-13-17-6-18-20(13)5-12(14)19-11;1-2/h2-3,5-6H,4H2,1H3;1-2H3.
What are the key properties of 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane?
6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane has a molecular weight of 369.21 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[(2,5-difluoro-4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazine;ethane is sourced from PubChem (CID 171526292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).