Home Amines 103274-40-4
103274-40-4,MFCD16653073
Catalog No.:AA01AQH3
103274-40-4 | 5-Amino-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
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Technical Information
Catalog Number:
AA01AQH3
Chemical Name:
5-Amino-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CAS Number:
103274-40-4
Molecular Formula:
C10H11N5O
Molecular Weight:
217.2272
MDL Number:
MFCD16653073
IUPAC Name:
5-amino-1-(3-methylphenyl)triazole-4-carboxamide
InChI:
InChI=1S/C10H11N5O/c1-6-3-2-4-7(5-6)15-9(11)8(10(12)16)13-14-15/h2-5H,11H2,1H3,(H2,12,16)
InChI Key:
OZUFDNGGVGGVBY-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1nnc(c1N)C(=O)N
Properties
Computed Properties
 
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.232g/mol
Monoisotopic Mass:
217.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
5-amino-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide 
103274-40-4 
AKOS005208026 
BS-4250 
MCULE-4069844761 
EU-0060851 
EN300-237012 
L-3500 
SR-01000555249 
SR-01000555249-1 
F2147-0376 
5-amino-1-(3-methylphenyl)-1,2,3-triazole-4-carboxamide 
AC1N2UA5 
C10H11N5O 
CID4102159 
5-amino-1-(3-methylphenyl)triazole-4-carboxamide 
KS-00003HTL 
ZINC424334 
BBL008799 
HTS000664 
MFCD16653073 
STL081000 
Literature
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