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
    2.7465    0.3812    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -0.7373    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -0.7529    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545   -1.8095   -0.2202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -1.3775   -0.2049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -0.0828    0.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    0.2971    0.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467    0.8200    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038    1.3029    0.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161    0.3916    0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218   -1.6645   -0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    0.4965   -0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    0.8992    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101    1.8358   -0.1862 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