Home Carboxys 6-Methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid

6-Methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid

CAS No.:
1443978-99-1
Catalog Number:
AG00HX2N
Molecular Formula:
C7H6N4O3
Molecular Weight:
194.1475
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Product Description
Catalog Number:
AG00HX2N
Chemical Name:
6-Methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid
CAS Number:
1443978-99-1
Molecular Formula:
C7H6N4O3
Molecular Weight:
194.1475
MDL Number:
MFCD25953213
IUPAC Name:
6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxylic acid
InChI:
InChI=1S/C7H6N4O3/c1-3-2-11-5(6(12)8-3)4(7(13)14)9-10-11/h2H,1H3,(H,8,12)(H,13,14)
InChI Key:
PDMSZJSZLNINLN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn2c1c(=O)[nH]c(c2)C
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.15g/mol
Monoisotopic Mass:
194.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties