7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C9H4F2N4O — CID 10036477

IUPAC7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(F)c(F)cc2n2cnnc12
InChIInChI=1S/C9H4F2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)
InChIKeyNUDJHGKKHGNTPF-UHFFFAOYSA-N
MW222.15 g/mol
LogP0.85
Rot. Bonds

About 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 10036477) has the molecular formula C9H4F2N4O and a molecular weight of 222.15 g/mol. Its IUPAC name is 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID10036477
Molecular FormulaC9H4F2N4O
Molecular Weight222.15 g/mol
Exact Mass222.04
IUPAC Name7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(F)c(F)cc2n2cnnc12
InChIInChI=1S/C9H4F2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)
InChIKeyNUDJHGKKHGNTPF-UHFFFAOYSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 10036477) is 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2cc(F)c(F)cc2n2cnnc12.
What is the InChIKey of 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is NUDJHGKKHGNTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16).
What are the key properties of 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 222.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 10036477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).