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500287-45-6 | 4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 3-ethyl-3,5-dihydro- (9CI)
CAS No: 500287-45-6 Catalog No: AG00DXA4 MDL No:
Product Description
Catalog Number:
AG00DXA4
Chemical Name:
4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 3-ethyl-3,5-dihydro- (9CI)
CAS Number:
500287-45-6
IUPAC Name:
3-ethyl-5H-imidazo[4,5-d]triazin-4-one
InChI:
InChI=1S/C6H7N5O/c1-2-11-6(12)4-5(9-10-11)8-3-7-4/h3H,2H2,1H3,(H,7,8)
InChI Key:
SDMBHZNCNMLPCF-UHFFFAOYSA-N
NSC Number:
81690
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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