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
    3.0843    0.1028   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341    0.7440   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    0.0509   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4887   -1.2748    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8021   -1.4756    0.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362   -0.3147    0.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254    0.6151    0.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -0.0380    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202    0.5779   -0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -0.9736   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533    1.8203   -0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902   -0.8682    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285    0.1926    1.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1045    0.8411   -0.1993 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