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
-3.1043 0.0803 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0127 -0.1215 -0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 -0.0135 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 0.2836 1.2389 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8351 0.2945 1.4539 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4570 0.0078 0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5132 -0.1805 -0.5990 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9019 -0.0837 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0543 0.3312 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0732 0.0052 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1191 -0.3651 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3910 0.8725 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3511 -0.8954 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 -0.2155 -0.9665 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