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
3.1007 0.1429 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9615 0.5311 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 0.1006 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5479 -0.6976 1.0373 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 -0.8594 1.2250 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4263 -0.1907 0.3136 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5585 0.4001 -0.4585 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8882 -0.1301 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0634 0.4453 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1193 -0.5039 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9495 1.1701 -1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3077 -1.0800 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2815 0.7407 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2176 -0.0692 -0.8455 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