Home Other Building Blocks 5-(but-3-yn-1-yl)-1H-1,2,3,4-tetrazole

5-(but-3-yn-1-yl)-1H-1,2,3,4-tetrazole

CAS No.:
954371-22-3
Catalog Number:
AG01EMSI
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
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Product Description
Catalog Number:
AG01EMSI
Chemical Name:
5-(but-3-yn-1-yl)-1H-1,2,3,4-tetrazole
CAS Number:
954371-22-3
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
MDL Number:
MFCD28361330
IUPAC Name:
5-but-3-ynyl-2H-tetrazole
InChI:
InChI=1S/C5H6N4/c1-2-3-4-5-6-8-9-7-5/h1H,3-4H2,(H,6,7,8,9)
InChI Key:
XUVHXPCGYCQQSS-UHFFFAOYSA-N
SMILES:
C#CCCc1nnn[nH]1
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.131g/mol
Monoisotopic Mass:
122.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties