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Home > Imidazoles > 899822-41-4
899822-41-4 | 6-methylimidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione
CAS No: 899822-41-4 Catalog No: AG01BK69 MDL No:MFCD20729818
Product Description
Catalog Number:
AG01BK69
Chemical Name:
6-methylimidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione
CAS Number:
899822-41-4
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD20729818
IUPAC Name:
6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12)
InChI Key:
HTNSGUAKEYEURZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n2c([nH]1)ncc2C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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