Home Other Building Blocks 5-benzyl-1H-1,2,4-triazole-3-carboxamide

5-benzyl-1H-1,2,4-triazole-3-carboxamide

CAS No.:
63970-80-9
Catalog Number:
AG01BAUY
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
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Product Description
Catalog Number:
AG01BAUY
Chemical Name:
5-benzyl-1H-1,2,4-triazole-3-carboxamide
CAS Number:
63970-80-9
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
MDL Number:
MFCD24624870
IUPAC Name:
5-benzyl-1H-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C10H10N4O/c11-9(15)10-12-8(13-14-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,15)(H,12,13,14)
InChI Key:
SPJVJWMKIYGZLD-UHFFFAOYSA-N
SMILES:
NC(=O)c1nc([nH]n1)Cc1ccccc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties