Monomers

2-Methyl-5-vinyltetrazole

Identifiers

IUPAC name
5-ethenyl-2-methyltetrazole
InchI
InChI=1S/C4H6N4/c1-3-4-5-7-8(2)6-4/h3H,1H2,2H3
InchI Key
BHRMHWAEINWAJS-UHFFFAOYSA-N
SMILES
C=Cc1nnn(n1)C
Canonical SMILES
CN1N=C(N=N1)C=C
Isomeric SMILES
CN1N=C(N=N1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6N4
Heavy Atom Count
8
Molecular Weight
110.12
Exact Molecular Weight
110.0592
Valence Electrons
42
Radical Electrons
0
tPSA
43.6
MolLogP
-0.1469
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

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.6890    0.5220    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170   -0.5767    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -0.6867   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0391   -1.7509   -0.6593 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494   -1.3882   -0.7664 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4043   -0.1468   -0.3919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    0.2932   -0.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916    0.6577   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438    0.5697    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0824    1.3957    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -1.4395   -0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7569    1.0785   -1.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4316    0.0119    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4982    1.4600    0.4307 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  1  0
  6  8  1  0
  7  3  2  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  8 12  1  0
  8 13  1  0
  8 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers