Home Other Building Blocks 2-(1H-1,2,4-TRIAZOL-5-YL)ACETAMIDE

2-(1H-1,2,4-TRIAZOL-5-YL)ACETAMIDE

CAS No.:
856863-17-7
Catalog Number:
AG01DWQ7
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
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Product Description
Catalog Number:
AG01DWQ7
Chemical Name:
2-(1H-1,2,4-TRIAZOL-5-YL)ACETAMIDE
CAS Number:
856863-17-7
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD19205911
IUPAC Name:
2-(1H-1,2,4-triazol-5-yl)acetamide
InChI:
InChI=1S/C4H6N4O/c5-3(9)1-4-6-2-7-8-4/h2H,1H2,(H2,5,9)(H,6,7,8)
InChI Key:
HVJKVFXYRYHZQF-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1n[nH]cn1
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties