Home Carboxys 5-methyl-1-(4H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole-3-carboxylic acid

5-methyl-1-(4H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole-3-carboxylic acid

CAS No.:
929975-75-7
Catalog Number:
AG00IHFO
Molecular Formula:
C6H6N6O2
Molecular Weight:
194.1508
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Product Description
Catalog Number:
AG00IHFO
Chemical Name:
5-methyl-1-(4H-1,2,4-triazol-3-yl)-1H-1,2,4-triazole-3-carboxylic acid
CAS Number:
929975-75-7
Molecular Formula:
C6H6N6O2
Molecular Weight:
194.1508
MDL Number:
MFCD09040479
IUPAC Name:
5-methyl-1-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C6H6N6O2/c1-3-9-4(5(13)14)11-12(3)6-7-2-8-10-6/h2H,1H3,(H,13,14)(H,7,8,10)
InChI Key:
DNXSSJRFCOMKBF-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(n1)C)c1nnc[nH]1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.055g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.154g/mol
Monoisotopic Mass:
194.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties