2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc

C10H10N5O2S2Zn-3 — CID 168986210

IUPAC2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc
SMILESO=[N+]([O-])c1ccc2nc([S-])c([S-])nc2c1.[NH-]CCN.[Zn]
InChIInChI=1S/C8H5N3O2S2.C2H7N2.Zn/c12-11(13)4-1-2-5-6(3-4)10-8(15)7(14)9-5;3-1-2-4;/h1-3H,(H,9,14)(H,10,15);3H,1-2,4H2;/q;-1;/p-2
InChIKeyXKKMMPDBHAIYCD-UHFFFAOYSA-L
MW361.75 g/mol
LogP1.34
Rot. Bonds2

About 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc

2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc (PubChem CID 168986210) has the molecular formula C10H10N5O2S2Zn-3 and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc.

Molecular Properties

Compound Name2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc
PubChem CID168986210
Molecular FormulaC10H10N5O2S2Zn-3
Molecular Weight361.75 g/mol
Exact Mass359.96
IUPAC Name2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc
SMILESO=[N+]([O-])c1ccc2nc([S-])c([S-])nc2c1.[NH-]CCN.[Zn]
InChIInChI=1S/C8H5N3O2S2.C2H7N2.Zn/c12-11(13)4-1-2-5-6(3-4)10-8(15)7(14)9-5;3-1-2-4;/h1-3H,(H,9,14)(H,10,15);3H,1-2,4H2;/q;-1;/p-2
InChIKeyXKKMMPDBHAIYCD-UHFFFAOYSA-L
XLogP1.34
TPSA118.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc 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

zinc;2-aminoethylazanide;7-nitro-3-sulfanylidene-4H-quinoxaline-2-thiolate
CID 168986218
3-ethyl-2-methyl-6-nitroquinoxaline
CID 142123651
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023
N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 114900667
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-2,3-di(piperidin-1-yl)quinoxaline
CID 4597717
(6-nitro-1H-benzimidazol-2-yl)methanamine
CID 30159791
2,3-bis[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]-6-nitroquinoxaline
CID 132513843
6-nitro-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 10967410
6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
ethane;6-nitroquinoxaline
CID 143926485

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc?
The IUPAC name of 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc (CID 168986210) is 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc.
What is the SMILES notation for 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc?
The canonical SMILES for 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc is O=[N+]([O-])c1ccc2nc([S-])c([S-])nc2c1.[NH-]CCN.[Zn].
What is the InChIKey of 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc?
The InChIKey is XKKMMPDBHAIYCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H5N3O2S2.C2H7N2.Zn/c12-11(13)4-1-2-5-6(3-4)10-8(15)7(14)9-5;3-1-2-4;/h1-3H,(H,9,14)(H,10,15);3H,1-2,4H2;/q;-1;/p-2.
What are the key properties of 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc?
2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc has a molecular weight of 361.75 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylazanide;6-nitroquinoxaline-2,3-dithiolate;zinc is sourced from PubChem (CID 168986210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).