8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one

C8H4N6O3 — CID 10059801

IUPAC8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2n2nnnc12
InChIInChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-3-4(14(16)17)1-2-5(6)9-8/h1-3H,(H,9,15)
InChIKeyHUMHYFZHTXWQBT-UHFFFAOYSA-N
MW232.16 g/mol
LogP-0.13
Rot. Bonds1

About 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one

8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one (PubChem CID 10059801) has the molecular formula C8H4N6O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one
PubChem CID10059801
Molecular FormulaC8H4N6O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2n2nnnc12
InChIInChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-3-4(14(16)17)1-2-5(6)9-8/h1-3H,(H,9,15)
InChIKeyHUMHYFZHTXWQBT-UHFFFAOYSA-N
XLogP-0.13
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one (CID 10059801) is 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccc([N+](=O)[O-])cc2n2nnnc12.
What is the InChIKey of 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is HUMHYFZHTXWQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-3-4(14(16)17)1-2-5(6)9-8/h1-3H,(H,9,15).
What are the key properties of 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 232.16 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-5H-tetrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10059801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).