2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide

C7H8N4O4 — CID 8003194

IUPAC2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide
SMILESNC(=O)C/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N4O4/c8-4(12)2-9-1-3-5(13)10-7(15)11-6(3)14/h1,3H,2H2,(H2,8,12)(H2,10,11,13,14,15)/b9-1+
InChIKeyDHLXBCOYRFQILP-XLUWADSXSA-N
MW212.16 g/mol
LogP-2.48
Rot. Bonds3

About 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide

2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide (PubChem CID 8003194) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide
PubChem CID8003194
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide
SMILESNC(=O)C/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H8N4O4/c8-4(12)2-9-1-3-5(13)10-7(15)11-6(3)14/h1,3H,2H2,(H2,8,12)(H2,10,11,13,14,15)/b9-1+
InChIKeyDHLXBCOYRFQILP-XLUWADSXSA-N
XLogP-2.48
TPSA130.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-2.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-hydrazinylidenemethyl]-1,3-diazinane-2,4,6-trione
CID 73334132
5-[(E)-5H-tetrazol-5-yliminomethyl]-1,3-diazinane-2,4,6-trione
CID 76313822
5-(5H-tetrazol-5-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 172024245
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(iminomethyl)-
CID 7426990
5-(Methyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 122496393
5-[(E)-hydrazinylidenemethyl]pyrimidine-2,4,6-trione
CID 124528059
5-Methanehydrazonoyl-1,3-diazinane-2,4,6-trione
CID 173575715
5-Pyrimidinecarboxaldehyde,hexahydro-2,4,6-trioxo-, 5-oxime
CID 351585
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 6924062
5-(2-Bromoethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6999381
2-[(2,4,6-Trioxo-1,3-diazinan-5-yl)methylideneamino]acetate
CID 7000656
2-[(2,4,6-Trioxo-1,3-diazinan-5-yl)methylideneamino]acetic acid
CID 7000657

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide (CID 8003194) is 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide is NC(=O)C/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide?
The InChIKey is DHLXBCOYRFQILP-XLUWADSXSA-N. The full InChI is InChI=1S/C7H8N4O4/c8-4(12)2-9-1-3-5(13)10-7(15)11-6(3)14/h1,3H,2H2,(H2,8,12)(H2,10,11,13,14,15)/b9-1+.
What are the key properties of 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide?
2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide has a molecular weight of 212.16 g/mol, XLogP of -2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetamide is sourced from PubChem (CID 8003194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).