Home Aminos 2-amino-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]propanamide

2-amino-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]propanamide

CAS No.:
1218508-56-5
Catalog Number:
AG01A8WA
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
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Product Description
Catalog Number:
AG01A8WA
Chemical Name:
2-amino-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]propanamide
CAS Number:
1218508-56-5
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
MDL Number:
MFCD12878172
IUPAC Name:
2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
InChI:
InChI=1S/C11H13N5O/c1-8(12)11(17)15-9-2-4-10(5-3-9)16-7-13-6-14-16/h2-8H,12H2,1H3,(H,15,17)
InChI Key:
IZBKRWIFIYXDBB-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1ccc(cc1)n1ncnc1)N
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.259g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties