Home Amines 1105195-32-1
1105195-32-1,MFCD16653067
Catalog No.:AA01AQFJ
1105195-32-1 | 5-AMINO-1-(3-METHOXYPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
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Technical Information
Catalog Number:
AA01AQFJ
Chemical Name:
5-AMINO-1-(3-METHOXYPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
CAS Number:
1105195-32-1
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.2266
MDL Number:
MFCD16653067
IUPAC Name:
5-amino-1-(3-methoxyphenyl)triazole-4-carboxamide
InChI:
InChI=1S/C10H11N5O2/c1-17-7-4-2-3-6(5-7)15-9(11)8(10(12)16)13-14-15/h2-5H,11H2,1H3,(H2,12,16)
InChI Key:
SSABFBOCWBAVSV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1nnc(c1N)C(=O)N
Properties
Computed Properties
 
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.091g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.231g/mol
Monoisotopic Mass:
233.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
5-Amino-1-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide 
1105195-32-1 
ZINC26422901 
AKOS005207642 
EN300-236951 
F2147-0364 
5-amino-1-(3-methoxyphenyl)-1,2,3-triazole-4-carboxamide 
5-amino-1-(3-methoxyphenyl)triazole-4-carboxamide 
Literature
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