potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine

C6H6KN5O6 — CID 15445407

IUPACpotassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc([C-]([N+](=O)[O-])[N+](=O)[O-])n1.[K+]
InChIInChI=1S/C6H6N5O6.K/c1-16-5-7-3(8-6(9-5)17-2)4(10(12)13)11(14)15;/h1-2H3;/q-1;+1
InChIKeyGJZHJDULZOSGLO-UHFFFAOYSA-N
MW283.24 g/mol
LogP-3.72
Rot. Bonds5

About potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine

potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 15445407) has the molecular formula C6H6KN5O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Namepotassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID15445407
Molecular FormulaC6H6KN5O6
Molecular Weight283.24 g/mol
Exact Mass283.00
IUPAC Namepotassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc([C-]([N+](=O)[O-])[N+](=O)[O-])n1.[K+]
InChIInChI=1S/C6H6N5O6.K/c1-16-5-7-3(8-6(9-5)17-2)4(10(12)13)11(14)15;/h1-2H3;/q-1;+1
InChIKeyGJZHJDULZOSGLO-UHFFFAOYSA-N
XLogP-3.72
TPSA143.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-3.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-Dimethylamino-4-methoxy-6-fluorodinitromethyl-1,3,5-triazine
CID 12064091
2,4-Dimethoxy-6-trinitromethyl-1,3,5-triazine
CID 15184522
2-Methoxy-4,6-bis(trinitromethyl)-1,3,5-triazine
CID 15184523
2-Dimethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 12062843
2-Dimethylamino-4-methoxy-6-dinitromethyl-1,3,5-triazine
CID 125485936
2,4-Dimethoxy-6-dinitromethyl-1,3,5-triazine
CID 129735523
2-Methoxy-4-amino-6-dinitromethyl-1,3,5-triazine
CID 129744576
Water 2-methoxy-4-amino-6-dinitromethyl-1,3,5-triazine
CID 129744777
2-Diethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 129799601
2,4-Dimethoxy-6-nitromethyl-1,3,5-triazine
CID 132278687
Potassium 2-(dinitromethyl)-4,6-dipropoxy-1,3,5-triazine
CID 135078502
Potassium 2-(dinitromethyl)-4,6-di(propan-2-yloxy)-1,3,5-triazine
CID 135078506

Frequently Asked Questions

What is the IUPAC name of potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine (CID 15445407) is potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc([C-]([N+](=O)[O-])[N+](=O)[O-])n1.[K+].
What is the InChIKey of potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is GJZHJDULZOSGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N5O6.K/c1-16-5-7-3(8-6(9-5)17-2)4(10(12)13)11(14)15;/h1-2H3;/q-1;+1.
What are the key properties of potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine?
potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 283.24 g/mol, XLogP of -3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 15445407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).