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
2.9708 -0.9591 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8139 -1.5200 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 -0.6866 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5779 -1.2463 -0.1626 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6735 -0.4958 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9525 -1.0984 -0.6481 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5689 0.8411 -0.2987 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3838 1.4477 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 0.6516 0.1594 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 2.8639 0.0314 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0324 0.1156 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8776 -1.5174 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 -2.5931 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6893 -0.9905 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1362 -1.6128 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0110 3.4430 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5112 3.3572 -0.4110 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