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
3.0845 0.4627 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 0.6947 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6976 0.1405 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4834 -0.6243 -1.0675 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8070 -0.8989 -1.1122 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -0.3401 -0.0943 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4992 0.2918 0.5866 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8747 -0.4283 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0329 0.8607 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0522 -0.1411 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 1.2914 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 0.0641 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1530 -1.5055 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1290 0.1322 1.1049 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