4-nitro-2H-triazolo[4,5-f]quinoxaline

C8H4N6O2 — CID 67754770

IUPAC4-nitro-2H-triazolo[4,5-f]quinoxaline
SMILESO=[N+]([O-])c1cc2nccnc2c2n[nH]nc12
InChIInChI=1S/C8H4N6O2/c15-14(16)5-3-4-6(10-2-1-9-4)8-7(5)11-13-12-8/h1-3H,(H,11,12,13)
InChIKeyMCVHYCLYKAUJDW-UHFFFAOYSA-N
MW216.16 g/mol
LogP0.81
Rot. Bonds1

About 4-nitro-2H-triazolo[4,5-f]quinoxaline

4-nitro-2H-triazolo[4,5-f]quinoxaline (PubChem CID 67754770) has the molecular formula C8H4N6O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 4-nitro-2H-triazolo[4,5-f]quinoxaline.

Molecular Properties

Compound Name4-nitro-2H-triazolo[4,5-f]quinoxaline
PubChem CID67754770
Molecular FormulaC8H4N6O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name4-nitro-2H-triazolo[4,5-f]quinoxaline
SMILESO=[N+]([O-])c1cc2nccnc2c2n[nH]nc12
InChIInChI=1S/C8H4N6O2/c15-14(16)5-3-4-6(10-2-1-9-4)8-7(5)11-13-12-8/h1-3H,(H,11,12,13)
InChIKeyMCVHYCLYKAUJDW-UHFFFAOYSA-N
XLogP0.81
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

6,7-dinitroquinoxaline
CID 2724608
4,7-dinitro-2H-benzotriazole
CID 54319685
6-methyl-7-nitroquinoxaline
CID 55271661
4-fluoro-7-nitro-2H-benzotriazole
CID 123254608
5-fluoro-6-nitroquinoxaline
CID 164822939
6-methyl-5-nitroquinoxaline
CID 55271660
6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline
CID 166065924
1,1'-biphenyl;5-nitroquinoxaline
CID 174497247
5,6-dinitro-3-propyl-2H-indazole
CID 139995253
ethane;6-nitroquinoxaline
CID 143926485
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
6,8-dinitroquinoline
CID 11106850

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2H-triazolo[4,5-f]quinoxaline?
The IUPAC name of 4-nitro-2H-triazolo[4,5-f]quinoxaline (CID 67754770) is 4-nitro-2H-triazolo[4,5-f]quinoxaline.
What is the SMILES notation for 4-nitro-2H-triazolo[4,5-f]quinoxaline?
The canonical SMILES for 4-nitro-2H-triazolo[4,5-f]quinoxaline is O=[N+]([O-])c1cc2nccnc2c2n[nH]nc12.
What is the InChIKey of 4-nitro-2H-triazolo[4,5-f]quinoxaline?
The InChIKey is MCVHYCLYKAUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N6O2/c15-14(16)5-3-4-6(10-2-1-9-4)8-7(5)11-13-12-8/h1-3H,(H,11,12,13).
What are the key properties of 4-nitro-2H-triazolo[4,5-f]quinoxaline?
4-nitro-2H-triazolo[4,5-f]quinoxaline has a molecular weight of 216.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2H-triazolo[4,5-f]quinoxaline is sourced from PubChem (CID 67754770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).