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
-3.1282 -0.1047 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9931 -0.7806 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 -0.0915 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 1.2453 -0.0197 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 1.4405 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4495 0.2765 0.0703 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5058 -0.6518 0.0859 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8964 0.0786 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1144 0.9755 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0777 -0.5986 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 -1.8575 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3704 1.0458 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1724 -0.7196 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2918 -0.2579 -0.8702 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