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
   -2.6156    0.9418   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.2686   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -0.5602    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2425   -1.7462    0.3892 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756   -1.6025    0.3939 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743   -0.3726    0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    0.2719   -0.1158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.2606   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947    1.7066   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    1.1715   -0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -1.0783    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978    0.5402   -1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479   -0.4215    0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    1.1572    0.6357 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