3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro-


Chemical Name: 3H-1,2,4-Triazol-3-one, 5-amino-1,2-dihydro-
CAS Number: 1003-35-6
Product Number: AG0001HF(AGN-PC-0JP6X3)
Synonyms:
MDL No:
Molecular Formula: C2H4N4O
Molecular Weight: 100.0794

Identification/Properties


Computed Properties
Molecular Weight:
100.081g/mol
XLogP3:
-1.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
100.039g/mol
Monoisotopic Mass:
100.039g/mol
Topological Polar Surface Area:
79.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
128
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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