Home Other Building Blocks 5-Bromo-7-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

5-Bromo-7-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

CAS No.:
1636161-67-5
Catalog Number:
AG01CCTW
Molecular Formula:
C6H5BrN4O
Molecular Weight:
229.0341
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Product Description
Catalog Number:
AG01CCTW
Chemical Name:
5-Bromo-7-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one
CAS Number:
1636161-67-5
Molecular Formula:
C6H5BrN4O
Molecular Weight:
229.0341
MDL Number:
MFCD30802997
IUPAC Name:
5-bromo-7-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C6H5BrN4O/c1-3-10-5(7)4-6(12)8-2-9-11(3)4/h2H,1H3,(H,8,9,12)
InChI Key:
PGJPQBGHVMBCKR-UHFFFAOYSA-N
SMILES:
Brc1nc(n2c1c(=O)nc[nH]2)C
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.037g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties