Monomers

1-Ethenyl-1H-tetrazole

Identifiers

IUPAC name
1-ethenyltetrazole
InchI
InChI=1S/C3H4N4/c1-2-7-3-4-5-6-7/h2-3H,1H2
InchI Key
LUHYKUNBEOOKRR-UHFFFAOYSA-N
SMILES
C=Cn1cnnn1
Canonical SMILES
C=CN1C=NN=N1
Isomeric SMILES
C=CN1C=NN=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
43.6
MolLogP
-0.2264
H Bond Acceptors
4
H Bond Donors
0
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
   -1.7669   -0.0904   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    0.4490    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458    0.2211    0.3726 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -0.5043   -0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623   -0.4582   -0.3372 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    0.2826    0.7344 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.7077    1.1842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4102   -0.6898   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156    0.0699   -0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3377    1.0558    1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522   -1.0434   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  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
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers