Home Carboxys 2-Methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid hydrate

2-Methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid hydrate

CAS No.:
1609403-50-0
Catalog Number:
AG00J25Q
Molecular Formula:
C7H8N4O4
Molecular Weight:
212.1628
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00J25Q
Chemical Name:
2-Methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid hydrate
CAS Number:
1609403-50-0
Molecular Formula:
C7H8N4O4
Molecular Weight:
212.1628
MDL Number:
MFCD00781860
IUPAC Name:
2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid;hydrate
InChI:
InChI=1S/C7H6N4O3.H2O/c1-3-9-7-8-2-4(6(13)14)5(12)11(7)10-3;/h2H,1H3,(H,13,14)(H,8,9,10);1H2
InChI Key:
MXTKMIGNZJSRBN-UHFFFAOYSA-N
SMILES:
Cc1nn2c(n1)[nH]cc(c2=O)C(=O)O.O
Properties
Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
212.165g/mol
Monoisotopic Mass:
212.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties