Home Carboxys 1-Methyl-1H-[1,2,3]triazole-4-carboxylic acid amide

1-Methyl-1H-[1,2,3]triazole-4-carboxylic acid amide

CAS No.:
39039-49-1
Catalog Number:
AG00CL0N
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
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Product Description
Catalog Number:
AG00CL0N
Chemical Name:
1-Methyl-1H-[1,2,3]triazole-4-carboxylic acid amide
CAS Number:
39039-49-1
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD19204155
IUPAC Name:
1-methyltriazole-4-carboxamide
InChI:
InChI=1S/C4H6N4O/c1-8-2-3(4(5)9)6-7-8/h2H,1H3,(H2,5,9)
InChI Key:
ZACLJEAVAAOZCX-UHFFFAOYSA-N
SMILES:
Cn1cc(nn1)C(=O)N
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties