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
3.0796 0.0053 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0279 -0.4559 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6824 -0.0896 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3904 0.7487 0.7660 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 0.8832 0.8488 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4319 0.1390 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4923 -0.4661 -0.7834 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8734 0.0219 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9638 0.6936 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0830 -0.2683 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1760 -1.1309 -1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4370 0.3539 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1459 -1.0482 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1271 0.6137 -1.2481 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