Home Aminos 2-(3-amino-1H-1,2,4-triazol-1-yl)-N-benzylacetamide

2-(3-amino-1H-1,2,4-triazol-1-yl)-N-benzylacetamide

CAS No.:
1179649-46-7
Catalog Number:
AG01A91T
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
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Product Description
Catalog Number:
AG01A91T
Chemical Name:
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-benzylacetamide
CAS Number:
1179649-46-7
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
MDL Number:
MFCD12901416
IUPAC Name:
2-(3-amino-1,2,4-triazol-1-yl)-N-benzylacetamide
InChI:
InChI=1S/C11H13N5O/c12-11-14-8-16(15-11)7-10(17)13-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,15)(H,13,17)
InChI Key:
KMQJEVYPTAVQNW-UHFFFAOYSA-N
SMILES:
O=C(Cn1cnc(n1)N)NCc1ccccc1
Properties
Complexity:
254  
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:
4  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties