7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

C11H6F2N4O2 — CID 46506948

IUPAC7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=c1c2n[nH]c(=O)n2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2N4O2/c12-7-2-1-6(5-8(7)13)16-3-4-17-9(10(16)18)14-15-11(17)19/h1-5H,(H,15,19)
InChIKeyXPLMGZSTLNAHBI-UHFFFAOYSA-N
MW264.19 g/mol
LogP0.45
Rot. Bonds1

About 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione

7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (PubChem CID 46506948) has the molecular formula C11H6F2N4O2 and a molecular weight of 264.19 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
PubChem CID46506948
Molecular FormulaC11H6F2N4O2
Molecular Weight264.19 g/mol
Exact Mass264.05
IUPAC Name7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
SMILESO=c1c2n[nH]c(=O)n2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H6F2N4O2/c12-7-2-1-6(5-8(7)13)16-3-4-17-9(10(16)18)14-15-11(17)19/h1-5H,(H,15,19)
InChIKeyXPLMGZSTLNAHBI-UHFFFAOYSA-N
XLogP0.45
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The IUPAC name of 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione (CID 46506948) is 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The canonical SMILES for 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is O=c1c2n[nH]c(=O)n2ccn1-c1ccc(F)c(F)c1.
What is the InChIKey of 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
The InChIKey is XPLMGZSTLNAHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4O2/c12-7-2-1-6(5-8(7)13)16-3-4-17-9(10(16)18)14-15-11(17)19/h1-5H,(H,15,19).
What are the key properties of 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione?
7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione has a molecular weight of 264.19 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione is sourced from PubChem (CID 46506948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).