ethane;6-nitroquinoxaline

C10H11N3O2 — CID 143926485

IUPACethane;6-nitroquinoxaline
SMILESCC.O=[N+]([O-])c1ccc2nccnc2c1
InChIInChI=1S/C8H5N3O2.C2H6/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7;1-2/h1-5H;1-2H3
InChIKeyHTOMNXBWJRRJFT-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.56
Rot. Bonds1

About ethane;6-nitroquinoxaline

ethane;6-nitroquinoxaline (PubChem CID 143926485) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethane;6-nitroquinoxaline.

Molecular Properties

Compound Nameethane;6-nitroquinoxaline
PubChem CID143926485
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethane;6-nitroquinoxaline
SMILESCC.O=[N+]([O-])c1ccc2nccnc2c1
InChIInChI=1S/C8H5N3O2.C2H6/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7;1-2/h1-5H;1-2H3
InChIKeyHTOMNXBWJRRJFT-UHFFFAOYSA-N
XLogP2.56
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;6-nitroquinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

7-nitro-1,2,4-benzotriazine
CID 56997550
formaldehyde;bis(7-nitroquinoline)
CID 174420238
N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
6,7-dinitroquinoxaline
CID 2724608
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
2-chloro-5-nitrobenzotriazole
CID 142674252
5-methyl-7-nitroquinoline
CID 825902
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
silver 6-nitro-1H-benzimidazole
CID 19981768
5-nitro-1,3-benzoxazole
CID 1482180

Frequently Asked Questions

What is the IUPAC name of ethane;6-nitroquinoxaline?
The IUPAC name of ethane;6-nitroquinoxaline (CID 143926485) is ethane;6-nitroquinoxaline.
What is the SMILES notation for ethane;6-nitroquinoxaline?
The canonical SMILES for ethane;6-nitroquinoxaline is CC.O=[N+]([O-])c1ccc2nccnc2c1.
What is the InChIKey of ethane;6-nitroquinoxaline?
The InChIKey is HTOMNXBWJRRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2.C2H6/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7;1-2/h1-5H;1-2H3.
What are the key properties of ethane;6-nitroquinoxaline?
ethane;6-nitroquinoxaline has a molecular weight of 205.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-nitroquinoxaline is sourced from PubChem (CID 143926485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).