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

C10H6N6O5 — CID 11150446

IUPAC8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESNc1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c1nc(C(=O)O)nn12
InChIInChI=1S/C10H6N6O5/c11-3-1-6-4(2-5(3)16(20)21)12-9(17)8-13-7(10(18)19)14-15(6)8/h1-2H,11H2,(H,12,17)(H,18,19)
InChIKeyUECUSUHFDSPKQQ-UHFFFAOYSA-N
MW290.20 g/mol
LogP-0.24
Rot. Bonds2

About 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 11150446) has the molecular formula C10H6N6O5 and a molecular weight of 290.20 g/mol. Its IUPAC name is 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
PubChem CID11150446
Molecular FormulaC10H6N6O5
Molecular Weight290.20 g/mol
Exact Mass290.04
IUPAC Name8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
SMILESNc1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c1nc(C(=O)O)nn12
InChIInChI=1S/C10H6N6O5/c11-3-1-6-4(2-5(3)16(20)21)12-9(17)8-13-7(10(18)19)14-15(6)8/h1-2H,11H2,(H,12,17)(H,18,19)
InChIKeyUECUSUHFDSPKQQ-UHFFFAOYSA-N
XLogP-0.24
TPSA169.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-Nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10130815
4-hydroxy-7-nitro-6-(1,2,4-triazol-1-yl)-1H-quinoxaline-2,3-dione
CID 10684890
7-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10754847
Ethyl 7-amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10849846
7-Nitro-4-oxo-8-pyrrol-1-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11233084
8-Amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11558128
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525
Ethyl 8-acetamido-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44405058
7,8-dinitro-1,2,4-triazolo[4,3-a]quinoxalin-4(5H)-one
CID 10378701
7-Chloro-8-nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10781219
8-Acetylamino-7-nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11484359
[1,2,4]Triazolo[1,5-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-4-oxo-
CID 10263231

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 11150446) is 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is Nc1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c1nc(C(=O)O)nn12.
What is the InChIKey of 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
The InChIKey is UECUSUHFDSPKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O5/c11-3-1-6-4(2-5(3)16(20)21)12-9(17)8-13-7(10(18)19)14-15(6)8/h1-2H,11H2,(H,12,17)(H,18,19).
What are the key properties of 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?
8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 290.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-nitro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 11150446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).