7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C10H5BrN4O3 — CID 10063908

IUPAC7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Br)ccc3n2n1
InChIInChI=1S/C10H5BrN4O3/c11-4-1-2-6-5(3-4)12-9(16)8-13-7(10(17)18)14-15(6)8/h1-3H,(H,12,16)(H,17,18)
InChIKeyMKVDNFIQJJIMQX-UHFFFAOYSA-N
MW309.08 g/mol
LogP1.03
Rot. Bonds1

About 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 10063908) has the molecular formula C10H5BrN4O3 and a molecular weight of 309.08 g/mol. Its IUPAC name is 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID10063908
Molecular FormulaC10H5BrN4O3
Molecular Weight309.08 g/mol
Exact Mass307.95
IUPAC Name7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3cc(Br)ccc3n2n1
InChIInChI=1S/C10H5BrN4O3/c11-4-1-2-6-5(3-4)12-9(16)8-13-7(10(17)18)14-15(6)8/h1-3H,(H,12,16)(H,17,18)
InChIKeyMKVDNFIQJJIMQX-UHFFFAOYSA-N
XLogP1.03
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.08
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 10063908) is 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3cc(Br)ccc3n2n1.
What is the InChIKey of 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is MKVDNFIQJJIMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4O3/c11-4-1-2-6-5(3-4)12-9(16)8-13-7(10(17)18)14-15(6)8/h1-3H,(H,12,16)(H,17,18).
What are the key properties of 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 309.08 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 10063908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).