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
-2.8736 -1.2118 0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6452 -1.6576 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5309 -0.7425 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7519 -1.1368 0.2054 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7820 -0.3015 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1298 -0.7131 -0.0526 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4856 0.9905 -0.3252 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 1.4352 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7636 0.5569 -0.0737 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1376 2.7658 -0.6153 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0723 -0.1858 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 -1.8771 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3750 -2.6824 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5485 -1.1104 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6957 -0.6159 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1459 3.4566 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 3.0300 -1.5744 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