4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C12H7N7O3 — CID 11748496

IUPAC4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3ccc(-n4cnnc4)cc3n2n1
InChIInChI=1S/C12H7N7O3/c20-11-10-16-9(12(21)22)17-19(10)8-3-6(1-2-7(8)15-11)18-4-13-14-5-18/h1-5H,(H,15,20)(H,21,22)
InChIKeyBTJJJRVXGCKZCD-UHFFFAOYSA-N
MW297.23 g/mol
LogP-0.15
Rot. Bonds2

About 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 11748496) has the molecular formula C12H7N7O3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID11748496
Molecular FormulaC12H7N7O3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2c(=O)[nH]c3ccc(-n4cnnc4)cc3n2n1
InChIInChI=1S/C12H7N7O3/c20-11-10-16-9(12(21)22)17-19(10)8-3-6(1-2-7(8)15-11)18-4-13-14-5-18/h1-5H,(H,15,20)(H,21,22)
InChIKeyBTJJJRVXGCKZCD-UHFFFAOYSA-N
XLogP-0.15
TPSA131.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 11748496) is 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is O=C(O)c1nc2c(=O)[nH]c3ccc(-n4cnnc4)cc3n2n1.
What is the InChIKey of 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is BTJJJRVXGCKZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N7O3/c20-11-10-16-9(12(21)22)17-19(10)8-3-6(1-2-7(8)15-11)18-4-13-14-5-18/h1-5H,(H,15,20)(H,21,22).
What are the key properties of 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 11748496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).