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16206-19-2 | [1,2,5]Oxadiazolo[3,4-d]pyrimidine-5,7-diamine, 1-oxide
CAS No: 16206-19-2 Catalog No: AG001SOX MDL No:
Product Description
Catalog Number:
AG001SOX
Chemical Name:
[1,2,5]Oxadiazolo[3,4-d]pyrimidine-5,7-diamine, 1-oxide
CAS Number:
16206-19-2
Molecular Formula:
C4H4N6O2
Molecular Weight:
168.1136
IUPAC Name:
1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-diamine
InChI:
InChI=1S/C4H4N6O2/c5-2-1-3(8-4(6)7-2)9-12-10(1)11/h(H4,5,6,7,8,9)
InChI Key:
QRAJKLHQNILRIW-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)no[n+]2[O-]
NSC Number:
107676
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.116g/mol
Monoisotopic Mass:
168.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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