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
    3.1007    0.1429   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615    0.5311   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6841    0.1006   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5479   -0.6976    1.0373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466   -0.8594    1.2250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4263   -0.1907    0.3136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585    0.4001   -0.4585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882   -0.1301    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0634    0.4453   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193   -0.5039    0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9495    1.1701   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077   -1.0800    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2815    0.7407    0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2176   -0.0692   -0.8455 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