Home Other Building Blocks N-methyl-1H-1,2,3-benzotriazole-5-carboxamide

N-methyl-1H-1,2,3-benzotriazole-5-carboxamide

CAS No.:
957494-31-4
Catalog Number:
AG01BGRQ
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
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Product Description
Catalog Number:
AG01BGRQ
Chemical Name:
N-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CAS Number:
957494-31-4
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD19596555
IUPAC Name:
N-methyl-2H-benzotriazole-5-carboxamide
InChI:
InChI=1S/C8H8N4O/c1-9-8(13)5-2-3-6-7(4-5)11-12-10-6/h2-4H,1H3,(H,9,13)(H,10,11,12)
InChI Key:
FQVIETWSZAGFSK-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc2c(c1)nn[nH]2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties