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
   -3.1272   -0.0000   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.6863    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7096   -0.0707   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528    1.2010   -0.4981 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618    1.3458   -0.5579 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648    0.2194   -0.2137 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -0.6346    0.0632 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9162   -0.0061   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0845   -0.4593    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1194    1.0287   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0575   -1.7005    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440    0.4660    0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685    0.3894   -1.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260   -1.0927   -0.1530 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