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16206-18-1 | [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine, 1-oxide
CAS No: 16206-18-1 Catalog No: AG001SOY MDL No:
Product Description
Catalog Number:
AG001SOY
Chemical Name:
[1,2,5]Oxadiazolo[3,4-d]pyrimidin-7-amine, 1-oxide
CAS Number:
16206-18-1
Molecular Formula:
C4H3N5O2
Molecular Weight:
153.0989
IUPAC Name:
1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-7-amine
InChI:
InChI=1S/C4H3N5O2/c5-3-2-4(7-1-6-3)8-11-9(2)10/h1H,(H2,5,6,7,8)
InChI Key:
JNHUWRBYGRSWFF-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1[n+]([O-])on2
NSC Number:
80355
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.101g/mol
Monoisotopic Mass:
153.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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