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
    3.1086   -0.0517   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770   -0.7193   -0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976   -0.0848   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    1.1669    0.1909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    1.3623    0.3559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507    0.2581    0.0189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209   -0.6259   -0.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856    0.0437    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440   -0.5217   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0813    0.9683   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -1.7404   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109   -0.0053   -0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679   -0.9377    0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506    0.8877    0.5704 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