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
-3.0541 0.1718 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 0.3712 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 0.0771 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -0.3977 1.0669 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9397 -0.5616 1.1587 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4549 -0.1844 -0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4493 0.2078 -0.8101 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8428 -0.1794 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8707 -0.2041 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0508 0.3854 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1811 0.7553 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0200 -0.8433 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4443 -0.4841 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1353 0.8858 -0.6220 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