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
    3.1102    0.1280   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455   -0.1328    0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935   -0.0107    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011    0.3695   -1.2376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136    0.3739   -1.3845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4541   -0.0013   -0.2299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.2385    0.6328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881   -0.1025   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    0.0367    0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    0.4412   -1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698   -0.4470    1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608   -0.9100   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1636   -0.3352    0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474    0.8287   -0.4068 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