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
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
-3.1296 -0.3999 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0789 -1.1774 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7459 -0.5877 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3677 -1.3289 -0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5854 -0.7617 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7397 -1.5702 -0.2424 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7300 0.5818 -0.1069 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6168 1.3535 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5822 0.7501 0.0643 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 2.7576 0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0016 0.6613 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1196 -0.8071 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1579 -2.2658 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4807 -1.3431 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8361 -2.3959 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5292 3.1897 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1442 3.3438 -0.5398 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