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

C9H5BrN4O — CID 83488792

IUPAC7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Br)ccc2n2cnnc12
InChIInChI=1S/C9H5BrN4O/c10-5-1-2-7-6(3-5)12-9(15)8-13-11-4-14(7)8/h1-4H,(H,12,15)
InChIKeyFHPQQIHAENTTQI-UHFFFAOYSA-N
MW265.07 g/mol
LogP1.33
Rot. Bonds

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

7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 83488792) has the molecular formula C9H5BrN4O and a molecular weight of 265.07 g/mol. Its IUPAC name is 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID83488792
Molecular FormulaC9H5BrN4O
Molecular Weight265.07 g/mol
Exact Mass263.96
IUPAC Name7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Br)ccc2n2cnnc12
InChIInChI=1S/C9H5BrN4O/c10-5-1-2-7-6(3-5)12-9(15)8-13-11-4-14(7)8/h1-4H,(H,12,15)
InChIKeyFHPQQIHAENTTQI-UHFFFAOYSA-N
XLogP1.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 83488792) is 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2cc(Br)ccc2n2cnnc12.
What is the InChIKey of 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is FHPQQIHAENTTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4O/c10-5-1-2-7-6(3-5)12-9(15)8-13-11-4-14(7)8/h1-4H,(H,12,15).
What are the key properties of 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 265.07 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 83488792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).