1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-


Chemical Name: 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-
CAS Number: 3641-13-2
Product Number: AG00I77U(AGN-PC-0O9CGW)
Synonyms:
MDL No:
Molecular Formula: C3H4N4O2
Molecular Weight: 128.0895

Identification/Properties


Computed Properties
Molecular Weight:
128.091g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
128.033g/mol
Monoisotopic Mass:
128.033g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
127
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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