Home Other Building Blocks 5-AMINO-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

5-AMINO-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

CAS No.:
103752-72-3
Catalog Number:
AG008T33
Molecular Formula:
C9H9N5O
Molecular Weight:
203.2007
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Product Description
Catalog Number:
AG008T33
Chemical Name:
5-AMINO-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
CAS Number:
103752-72-3
Molecular Formula:
C9H9N5O
Molecular Weight:
203.2007
MDL Number:
MFCD02218166
IUPAC Name:
5-amino-2-phenyltriazole-4-carboxamide
InChI:
InChI=1S/C9H9N5O/c10-8-7(9(11)15)12-14(13-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13)(H2,11,15)
InChI Key:
LLMDNAOXHXCIOB-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(nc1N)c1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.081g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.205g/mol
Monoisotopic Mass:
203.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties