O=C1NC(=O)C(=O)C(=O)N1
CAS: 50-71-5
Name: 1,3-diazinane-2,4,5,6-tetrone
SMILES: O=C1NC(=O)C(=O)C(=O)N1

Molecular Processing

Molecular formula
C4H2N2O4
Molecular weight
142.07
Exact mass
142.0015
XLogP
-2.08
TPSA
92.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
26.69

Supplementary Information

InChIKey: HIMXGTXNXJYFGB-UHFFFAOYSA-N
Synonyme
Alloxan50-71-52,4,5,6(1H,3H)-PyrimidinetetroneMesoxalylureaMesoxalylcarbamide1,3-diazinane-2,4,5,6-tetroneALLOXANEPyrimidinetetroneAlloxan 71692,4,5,6-TetraoxohexahydropyrimidineNSC 71695,6-dioxouracil6SW5YHA5NGALLOXANUMDTXSID5044946NSC-7169CHEBI:76451RefChem:58576DTXCID3024946200-062-0Pyrimidine-2,4,5,6(1H,3H)-tetraoneUrea, mesoxalyl-Barbituric acid, 5-oxo-pyrimidine-2,4,5,6(1H,3H)-tetrone2,4,5,6-Pyrimidintetronhexahydropyrimidine-2,4,5,6-tetrone2,4,5,6-Pyrimidintetrone5-Oxobarbituric acidC4H2N2O42,4,5,6-Pyrimidintetron [Czech]
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