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
    2.6749    0.7362    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026   -0.4484   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429   -0.6496   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095   -1.7811   -0.4191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -1.5223   -0.3949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3757   -0.2519   -0.0967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895    0.2886    0.0672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737    0.4279    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7346    0.9215    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287    1.6035    0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8822   -1.2550   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    1.5165    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2760    0.2910   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    0.1232    0.9463 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