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
   -3.1282   -0.1047   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -0.7806    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.0915    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4832    1.2453   -0.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239    1.4405    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495    0.2765    0.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5058   -0.6518    0.0859 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964    0.0786    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1144    0.9755   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0777   -0.5986   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -1.8575    0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3704    1.0458    0.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -0.7196    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918   -0.2579   -0.8702 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