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
2.6761 0.7851 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2201 -0.2183 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7633 -0.4724 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 -1.4413 1.1051 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1643 -1.3056 0.8806 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 -0.2835 0.0769 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1990 0.2239 -0.2022 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6796 0.2015 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7450 0.9342 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 1.4436 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8816 -0.8501 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4208 -0.5739 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6250 0.4495 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9707 1.1074 0.1608 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