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
3.0937 0.0012 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9405 -0.3942 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 -0.0677 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5685 0.6546 1.0843 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7248 0.7322 1.3389 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4154 0.0891 0.4255 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5719 -0.4178 -0.4399 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8643 0.0102 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0433 -0.2279 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0886 0.5946 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 -0.9806 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3491 0.9418 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 -0.1281 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2482 -0.8074 -0.1875 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