Monomers
2-Vinyl-4,6-diamino-1,3,5-triazine
Identifiers
IUPAC name
6-ethenyl-1,3,5-triazine-2,4-diamine
InchI
InChI=1S/C5H7N5/c1-2-3-8-4(6)10-5(7)9-3/h2H,1H2,(H4,6,7,8,9,10)
InchI Key
ZXLYUNPVVODNRE-UHFFFAOYSA-N
SMILES
C=Cc1nc(N)nc(n1)N
Canonical SMILES
C=CC1=NC(=NC(=N1)N)N
Isomeric SMILES
C=CC1=NC(=NC(=N1)N)N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7N5
Heavy Atom Count
10
Molecular Weight
137.146
Exact Molecular Weight
137.0701
Valence Electrons
52
Radical Electrons
0
tPSA
90.71
MolLogP
-0.321
H Bond Acceptors
5
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
2.7381 -1.4999 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 -0.2647 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9283 0.0588 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0769 -0.9180 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2298 -0.7087 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0942 -1.7522 0.7735 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 0.5236 0.1905 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9094 1.5580 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4162 1.2871 -0.3685 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3997 2.8625 -0.3965 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7898 -1.7295 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0961 -2.2991 0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9929 0.5266 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 -2.2827 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 -2.0372 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4449 3.2473 -1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7116 3.4282 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 7 2 0
7 8 1 0
8 9 2 0
8 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
6 15 1 0
10 16 1 0
10 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers