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
    3.0845    0.4627   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9845    0.6947    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    0.1405    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4834   -0.6243   -1.0675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070   -0.8989   -1.1122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4378   -0.3401   -0.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992    0.2918    0.5866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8747   -0.4283    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329    0.8607    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0522   -0.1411   -1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    1.2914    1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4504    0.0641   -0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1530   -1.5055    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1290    0.1322    1.1049 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