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

C10H10N6O4 — CID 4686258

IUPAC2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine
SMILESCNc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1NC
InChIInChI=1S/C10H10N6O4/c1-11-9-10(12-2)14-6-4-8(16(19)20)7(15(17)18)3-5(6)13-9/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyQJPYARHRMNJIKM-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.53
Rot. Bonds4

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

2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine (PubChem CID 4686258) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine
PubChem CID4686258
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine
SMILESCNc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1NC
InChIInChI=1S/C10H10N6O4/c1-11-9-10(12-2)14-6-4-8(16(19)20)7(15(17)18)3-5(6)13-9/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyQJPYARHRMNJIKM-UHFFFAOYSA-N
XLogP1.53
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine (CID 4686258) is 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine is CNc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1NC.
What is the InChIKey of 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine?
The InChIKey is QJPYARHRMNJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c1-11-9-10(12-2)14-6-4-8(16(19)20)7(15(17)18)3-5(6)13-9/h3-4H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine?
2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine has a molecular weight of 278.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethyl-6,7-dinitroquinoxaline-2,3-diamine is sourced from PubChem (CID 4686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).