Home Carboxys 1-Methyl-1h-1,2,3-triazole-4-carboxylic acid

1-Methyl-1h-1,2,3-triazole-4-carboxylic acid

CAS No.:
16681-71-3
Catalog Number:
AG007WIK
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$175
- +
1g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG007WIK
Chemical Name:
1-Methyl-1h-1,2,3-triazole-4-carboxylic acid
CAS Number:
16681-71-3
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD08689473
IUPAC Name:
1-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C4H5N3O2/c1-7-2-3(4(8)9)5-6-7/h2H,1H3,(H,8,9)
InChI Key:
SBUXBHALPHVDFT-UHFFFAOYSA-N
SMILES:
Cn1cc(nn1)C(=O)O
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties