4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C10H7N5O2 — CID 11521469

IUPAC4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C10H7N5O2/c11-7(16)8-13-9-10(17)12-5-3-1-2-4-6(5)15(9)14-8/h1-4H,(H2,11,16)(H,12,17)
InChIKeyZUXKNASNKPTJBP-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.33
Rot. Bonds1

About 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 11521469) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID11521469
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C10H7N5O2/c11-7(16)8-13-9-10(17)12-5-3-1-2-4-6(5)15(9)14-8/h1-4H,(H2,11,16)(H,12,17)
InChIKeyZUXKNASNKPTJBP-UHFFFAOYSA-N
XLogP-0.33
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 11521469) is 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1.
What is the InChIKey of 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is ZUXKNASNKPTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c11-7(16)8-13-9-10(17)12-5-3-1-2-4-6(5)15(9)14-8/h1-4H,(H2,11,16)(H,12,17).
What are the key properties of 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 229.20 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 11521469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).