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
3.0199 0.5765 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3359 -0.3683 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8875 -0.2475 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1271 -1.2144 -0.6409 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2117 -1.1198 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9242 -2.1577 -1.3423 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 -0.0170 -0.1913 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 0.9579 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 0.8155 0.4497 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 2.1195 0.9551 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0999 0.5170 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 1.4440 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8044 -1.2450 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0651 -2.2659 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3631 -2.9050 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 2.9810 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7266 2.1291 1.2302 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