2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine

C16H22N6O4 — CID 3834910

IUPAC2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine
SMILESCCN(CC)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N(CC)CC
InChIInChI=1S/C16H22N6O4/c1-5-19(6-2)15-16(20(7-3)8-4)18-12-10-14(22(25)26)13(21(23)24)9-11(12)17-15/h9-10H,5-8H2,1-4H3
InChIKeyKTFCRVHNOMQNMX-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.14
Rot. Bonds8

About 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine

2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine (PubChem CID 3834910) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine
PubChem CID3834910
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine
SMILESCCN(CC)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N(CC)CC
InChIInChI=1S/C16H22N6O4/c1-5-19(6-2)15-16(20(7-3)8-4)18-12-10-14(22(25)26)13(21(23)24)9-11(12)17-15/h9-10H,5-8H2,1-4H3
InChIKeyKTFCRVHNOMQNMX-UHFFFAOYSA-N
XLogP3.14
TPSA118.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

disodium;6,7-dinitroquinoxaline-2,3-diolate
CID 172966637
6,7-dinitroquinoxaline
CID 2724608
N,N-diethyl-3-nitro-6-piperazin-1-ylpyridin-2-amine
CID 14654938
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 114900555
N-ethyl-5-fluoro-2-nitro-N-propylaniline
CID 142511621
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
CID 103103661
N,N-diethyl-3,4-dimethyl-2,6-dinitroaniline
CID 12767683
4-N,4-N-diethyl-2-N,2-N-dimethyl-5-nitro-1H-imidazole-2,4-diamine
CID 19827641
5,6-dinitro-3-propyl-2H-indazole
CID 139995253
2-bromo-4-chloro-N,N-diethyl-6-nitroaniline
CID 50879567
N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 67088839

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine?
The IUPAC name of 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine (CID 3834910) is 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine?
The canonical SMILES for 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine is CCN(CC)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N(CC)CC.
What is the InChIKey of 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine?
The InChIKey is KTFCRVHNOMQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-5-19(6-2)15-16(20(7-3)8-4)18-12-10-14(22(25)26)13(21(23)24)9-11(12)17-15/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine?
2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine has a molecular weight of 362.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine is sourced from PubChem (CID 3834910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).