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
    2.6761    0.7851   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201   -0.2183    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633   -0.4724    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -1.4413    1.1051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.3056    0.8806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826   -0.2835    0.0769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1990    0.2239   -0.2022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796    0.2015   -0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    0.9342   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0221    1.4436   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816   -0.8501    0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -0.5739   -0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.4495   -1.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9707    1.1074    0.1608 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