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
   -2.6425    0.2730    0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1456   -0.6650    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7419   -0.6232   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -1.5246   -0.9579 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -1.1315   -1.0794 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -0.0095   -0.4088 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943    0.2904    0.1341 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195    0.7242   -0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289    1.0808    1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6712    0.2435    1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7781   -1.4698   -0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3596    1.7380    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571    0.8430   -1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311    0.2307    0.3854 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