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
    3.0649    0.2965    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    0.4098    0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176    0.0748    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5845   -0.3533   -1.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -0.5119   -1.3928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122   -0.2133   -0.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424    0.1553    0.5824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555   -0.2615   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122   -0.0310   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474    0.5473    0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490    0.7401    1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716   -0.1990   -1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    0.5600    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762   -1.2136    0.2849 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