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Home > Imidazoles > 500533-89-1
500533-89-1 | 4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 1,5-dihydro-6-propyl- (9CI)
CAS No: 500533-89-1 Catalog No: AG00DXAG MDL No:
Product Description
Catalog Number:
AG00DXAG
Chemical Name:
4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 1,5-dihydro-6-propyl- (9CI)
CAS Number:
500533-89-1
IUPAC Name:
6-propyl-3,5-dihydroimidazo[4,5-d]triazin-4-one
InChI:
InChI=1S/C7H9N5O/c1-2-3-4-8-5-6(9-4)10-12-11-7(5)13/h2-3H2,1H3,(H2,8,9,10,11,13)
InChI Key:
XUSDUKUOGPICQX-UHFFFAOYSA-N
NSC Number:
119652
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.183g/mol
Monoisotopic Mass:
179.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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