Monomers

5-vinyl-1H-tetrazole

Identifiers

IUPAC name
5-ethenyl-2H-tetrazole
InchI
InChI=1S/C3H4N4/c1-2-3-4-6-7-5-3/h2H,1H2,(H,4,5,6,7)
InchI Key
VTQMJCSAHXYXPJ-UHFFFAOYSA-N
SMILES
C=Cc1nnn[nH]1
Canonical SMILES
C=CC1=NNN=N1
Isomeric SMILES
C=CC1=NNN=N1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H4N4
Heavy Atom Count
7
Molecular Weight
96.093
Exact Molecular Weight
96.0436
Valence Electrons
36
Radical Electrons
0
tPSA
54.46
MolLogP
-0.1573
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.3494   -1.1110    1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293   -0.0160    0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761    0.3877   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0995   -0.2562   -0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0074    0.3994   -0.8404 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918    1.4479   -1.3371 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.4741   -0.9896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -1.6999    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2623   -1.4192    1.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1844    0.6068    0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270    0.1862   -0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  5 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers