[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium

C6H8N3O4+ — CID 145260634

IUPAC[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium
SMILESCN1C(=O)C(=N[OH2+])C(=O)N(C)C1=O
InChIInChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h13H,1-2H3/p+1
InChIKeyBVSCIXRAKUKIET-UHFFFAOYSA-O
MW186.15 g/mol
LogP-1.88
Rot. Bonds

About [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium

[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium (PubChem CID 145260634) has the molecular formula C6H8N3O4+ and a molecular weight of 186.15 g/mol. Its IUPAC name is [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium.

Molecular Properties

Compound Name[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium
PubChem CID145260634
Molecular FormulaC6H8N3O4+
Molecular Weight186.15 g/mol
Exact Mass186.05
IUPAC Name[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium
SMILESCN1C(=O)C(=N[OH2+])C(=O)N(C)C1=O
InChIInChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h13H,1-2H3/p+1
InChIKeyBVSCIXRAKUKIET-UHFFFAOYSA-O
XLogP-1.88
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[Dimethylamino-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxymethylidene]-dimethylazanium
CID 101899711
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)-methylideneazanium
CID 178100535
Potassium 1,3-dimethyl-5-oxidoimino-1,3-diazinane-2,4,6-trione
CID 132933617

Frequently Asked Questions

What is the IUPAC name of [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium?
The IUPAC name of [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium (CID 145260634) is [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium.
What is the SMILES notation for [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium?
The canonical SMILES for [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium is CN1C(=O)C(=N[OH2+])C(=O)N(C)C1=O.
What is the InChIKey of [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium?
The InChIKey is BVSCIXRAKUKIET-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h13H,1-2H3/p+1.
What are the key properties of [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium?
[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium has a molecular weight of 186.15 g/mol, XLogP of -1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxidanium is sourced from PubChem (CID 145260634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).