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
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
2.6348 1.0559 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2450 -0.1918 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8309 -0.5316 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3054 -1.7692 0.1355 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0113 -1.6533 0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3572 -0.3822 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 0.2877 -0.0253 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 0.1203 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8828 1.8269 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6717 1.3272 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0066 -0.9524 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9918 0.6045 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8421 0.9329 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4201 -0.6748 0.3770 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