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Home Carboxys Methyl 5-amino-4h-[1,2,4]triazole-3-carboxylate

Methyl 5-amino-4h-[1,2,4]triazole-3-carboxylate

CAS No.:
3641-14-3
Catalog Number:
AG003RWW
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$188
- +
500g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG003RWW
Chemical Name:
Methyl 5-amino-4h-[1,2,4]triazole-3-carboxylate
CAS Number:
3641-14-3
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
MDL Number:
MFCD00297193
IUPAC Name:
methyl 3-amino-1H-1,2,4-triazole-5-carboxylate
InChI:
InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)
InChI Key:
OSZNPKRMPBUQLB-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(n1)N
EC Number:
222-869-7
UNII:
33BDL3S99S
NSC Number:
139097
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
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