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
-3.1355 -0.0803 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0503 0.1088 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7060 -0.0131 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3872 -0.3259 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9487 -0.3336 -1.3550 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4716 -0.0351 -0.1853 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4699 0.1600 0.6557 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 0.0719 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0618 -0.3376 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1039 0.0159 0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1418 0.3673 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4069 0.5844 -0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3641 -0.9191 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0334 0.7364 1.0396 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