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
3.0690 0.7842 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3327 -0.2458 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 -0.2050 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1181 -1.2757 -0.5386 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2210 -1.2477 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 -2.3991 -0.8105 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7833 -0.1341 0.0159 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 0.9599 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2891 0.9150 0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7213 2.1186 0.8480 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1418 0.7308 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5990 1.6901 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7965 -1.1396 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0112 -2.3456 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 -3.3113 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2192 2.8072 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7043 2.2980 0.6156 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