7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one

C8H3N7O5 — CID 10016333

IUPAC7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n2nnnc12
InChIInChI=1S/C8H3N7O5/c16-8-7-10-11-12-13(7)4-2-6(15(19)20)5(14(17)18)1-3(4)9-8/h1-2H,(H,9,16)
InChIKeyMIOQCKWPHKRFPZ-UHFFFAOYSA-N
MW277.16 g/mol
LogP-0.22
Rot. Bonds2

About 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one

7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one (PubChem CID 10016333) has the molecular formula C8H3N7O5 and a molecular weight of 277.16 g/mol. Its IUPAC name is 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one
PubChem CID10016333
Molecular FormulaC8H3N7O5
Molecular Weight277.16 g/mol
Exact Mass277.02
IUPAC Name7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n2nnnc12
InChIInChI=1S/C8H3N7O5/c16-8-7-10-11-12-13(7)4-2-6(15(19)20)5(14(17)18)1-3(4)9-8/h1-2H,(H,9,16)
InChIKeyMIOQCKWPHKRFPZ-UHFFFAOYSA-N
XLogP-0.22
TPSA162.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one (CID 10016333) is 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n2nnnc12.
What is the InChIKey of 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is MIOQCKWPHKRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3N7O5/c16-8-7-10-11-12-13(7)4-2-6(15(19)20)5(14(17)18)1-3(4)9-8/h1-2H,(H,9,16).
What are the key properties of 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 277.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dinitro-5H-tetrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10016333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).