1,3-diazepane-2,4,6-trione

1,3-diazepane-2,4,6-trione

CAS: 338756-68-6

Formula: C5H6N2O3

SMILES: O=C1CNC(=O)NC(=O)C1

IUPAC: 1,3-diazepane-2,4,6-trione

InChI: InChI=1S/C5H6N2O3/c8-3-1-4(9)7-5(10)6-2-3/h1-2H2,(H2,6,7,9,10)

Composition: C (42.26%), H (4.26%), N (19.71%), O (33.77%)

Molar Mass: 142.114

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	142.037842061
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VNRTZMCRXMBZIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.94
Topological Polar Surface Area	75.27
Polarizability	11.91
Ring Count	1
Rotatable Bond Count	0

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