Home Carboxys 3-Amino-1,2,4-triazole-5-carboxylic acid

3-Amino-1,2,4-triazole-5-carboxylic acid

CAS No.:
3641-13-2
Catalog Number:
AG00I77U
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$38
- +
100g
96%
In Stock USA
United States
$119
- +
500g
96%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00I77U
Chemical Name:
3-Amino-1,2,4-triazole-5-carboxylic acid
CAS Number:
3641-13-2
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
MDL Number:
MFCD00149595
IUPAC Name:
3-amino-1H-1,2,4-triazole-5-carboxylic acid
InChI:
InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7)
InChI Key:
MVRGLMCHDCMPKD-UHFFFAOYSA-N
SMILES:
Nc1nnc([nH]1)C(=O)O
EC Number:
222-868-1
UNII:
N0Z8Y9VGO0
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.033g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
128.091g/mol
Monoisotopic Mass:
128.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
A unique discrete tetranuclear Cu'-Cu(N-N)2Cu-Cu' copper(II) complex, built from a μ3-1,2,4-triazolato-μ-carboxylato ligand, as an effective DNA cleavage agent. Inorganic chemistry 20120917
Bis(5-amino-3-carb-oxy-1H-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1H-1,2,4-triazol-4-ium-3-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20120501
5-Amino-1H-1,2,4-triazol-4-ium-3-carboxyl-ate hemihydrate. Acta crystallographica. Section E, Structure reports online 20110801
Exceptionally stable, hollow tubular metal-organic architectures: synthesis, characterization, and solid-state transformation study. Journal of the American Chemical Society 20040324
Synthesis, structure and properties of N-acetylated derivatives of methyl 5-amino-1H-[1,2,4]triazole-3-carboxylate. Chemical & pharmaceutical bulletin 20040201
Acetylation of methyl 5-amino-1H-[1,2,4]triazole-3-carboxylate. Acta biochimica Polonica 20010101
Properties