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
2.8961 -1.3798 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2765 -0.2869 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8675 -0.0336 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0766 -0.9131 0.3898 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2299 -0.6363 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0693 -1.5601 1.2696 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7511 0.5198 0.1333 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9819 1.4118 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3136 1.0864 -0.6849 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4586 2.6382 -1.0159 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9375 -1.5419 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3311 -2.1265 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8617 0.4558 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7594 -2.1269 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0464 -1.6817 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1006 3.5214 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 2.6533 -1.7633 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