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
    2.7364    0.6071    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891   -0.4883   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452   -0.5998   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580   -1.6754   -0.6851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2455   -1.4222   -0.6161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -0.2070   -0.1181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100    0.2842    0.1181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796    0.4964    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    1.4093    0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920    0.7701    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317   -1.2918   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5211   -0.1391   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7162    1.4238   -0.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6533    0.8327    1.1839 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