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
    2.8151    0.6122    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638   -0.5187    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.6082    0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -1.7381    0.4833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -1.4542    0.3333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059   -0.1390    0.2813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002    0.3658    0.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715    0.5631    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.5740    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8851    0.6043    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -1.4349    0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5160   -0.1140    0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766    0.8544   -0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622    1.4334    0.7969 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