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
3.0649 0.2965 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9082 0.4098 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7176 0.0748 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5845 -0.3533 -1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -0.5119 -1.3928 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4122 -0.2133 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5424 0.1553 0.5824 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8555 -0.2615 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2122 -0.0310 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9474 0.5473 0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8490 0.7401 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3716 -0.1990 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2144 0.5600 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1762 -1.2136 0.2849 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