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
   -3.1049   -0.1479    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    0.5935    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6932    0.0223    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985   -1.2865   -0.1064 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -1.3938   -0.1671 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -0.2263    0.0191 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    0.6360    0.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8739    0.1743    0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0985    0.2591    0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381   -1.2091   -0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110    1.6521    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455   -0.6669   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015    0.5523    1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    1.0408   -0.6447 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