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Home Other Building Blocks 1-methyl-1,2,4-triazolidine-3,5-dione

1-methyl-1,2,4-triazolidine-3,5-dione

CAS No.:
34771-28-3
Catalog Number:
AG01BTY4
Molecular Formula:
C3H5N3O2
Molecular Weight:
115.0907
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Product Description
Catalog Number:
AG01BTY4
Chemical Name:
1-methyl-1,2,4-triazolidine-3,5-dione
CAS Number:
34771-28-3
Molecular Formula:
C3H5N3O2
Molecular Weight:
115.0907
MDL Number:
MFCD20727885
IUPAC Name:
1-methyl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C3H5N3O2/c1-6-3(8)4-2(7)5-6/h1H3,(H2,4,5,7,8)
InChI Key:
NENDRBATLNDSTO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n([nH]1)C
NSC Number:
133111
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.038g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
115.092g/mol
Monoisotopic Mass:
115.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Photochemical generation of aziridinium imides: are Als bystanders or perpetrators in the ene reaction? Organic letters 20071220
The reaction of N-methyl-1,2,4-triazoline-3,5-dione with tetracyclopropylethylene. Formation of an unusual meso-ionic product and its rearrangement to the diazetidine. Journal of the American Chemical Society 20040128
Properties