potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione

C6H6KN3O4 — CID 132933617

IUPACpotassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=N[O-])C(=O)N(C)C1=O.[K+]
InChIInChI=1S/C6H7N3O4.K/c1-8-4(10)3(7-13)5(11)9(2)6(8)12;/h13H,1-2H3;/q;+1/p-1
InChIKeyNMVYBLZMUPLYQF-UHFFFAOYSA-M
MW223.23 g/mol
LogP-4.02
Rot. Bonds

About potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione

potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione (PubChem CID 132933617) has the molecular formula C6H6KN3O4 and a molecular weight of 223.23 g/mol. Its IUPAC name is potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Namepotassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione
PubChem CID132933617
Molecular FormulaC6H6KN3O4
Molecular Weight223.23 g/mol
Exact Mass223.00
IUPAC Namepotassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=N[O-])C(=O)N(C)C1=O.[K+]
InChIInChI=1S/C6H7N3O4.K/c1-8-4(10)3(7-13)5(11)9(2)6(8)12;/h13H,1-2H3;/q;+1/p-1
InChIKeyNMVYBLZMUPLYQF-UHFFFAOYSA-M
XLogP-4.02
TPSA93.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-4.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_sixes(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20684424
N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
CID 23506187
CID 59967642
CID 59967642
5-Imino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 85593651
[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium
CID 145260634
(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-methylideneazanium
CID 178100535

Frequently Asked Questions

What is the IUPAC name of potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione?
The IUPAC name of potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione (CID 132933617) is potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione?
The canonical SMILES for potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=N[O-])C(=O)N(C)C1=O.[K+].
What is the InChIKey of potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione?
The InChIKey is NMVYBLZMUPLYQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7N3O4.K/c1-8-4(10)3(7-13)5(11)9(2)6(8)12;/h13H,1-2H3;/q;+1/p-1.
What are the key properties of potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione?
potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione has a molecular weight of 223.23 g/mol, XLogP of -4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 132933617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).