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Home > Imidazoles > 67410-57-5
67410-57-5 | Imidazo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione
CAS No: 67410-57-5 Catalog No: AG005OHW MDL No:
Product Description
Catalog Number:
AG005OHW
Chemical Name:
Imidazo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione
CAS Number:
67410-57-5
Molecular Formula:
C5H4N4O2
Molecular Weight:
152.1109
IUPAC Name:
1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C5H4N4O2/c10-4-7-3-6-1-2-9(3)5(11)8-4/h1-2H,(H2,6,7,8,10,11)
InChI Key:
OIWAVYDCTUEOEC-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n2c([nH]1)ncc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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