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
   -1.9901   -0.2276    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.0299   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742    0.0946   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -0.0875    0.8989 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171    0.0444    0.5731 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    0.3087   -0.7142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953    0.3465   -1.2091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553   -0.3901    1.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0687   -0.2732    0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317    0.1911   -1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602   -0.0368    1.1811 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