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
    2.5981    1.1068    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238   -0.0719    0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.4443    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488   -1.5989    1.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523   -1.5538    0.7916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -0.4091    0.2497 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194    0.2739    0.1337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6912    0.0154   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    1.7980   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463    1.3597    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9169   -0.7754    1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9849   -0.6454   -0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3439   -0.1418    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937    1.0867   -0.3952 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