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
3.1812 0.2772 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2472 -0.5998 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8230 -0.3423 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3962 0.8048 -0.2642 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 1.0831 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2678 2.3180 -1.0992 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7918 0.1356 -0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4217 -1.0355 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 -1.2610 0.5921 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4232 -1.9914 0.6765 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8893 1.2145 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2222 0.0871 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5394 -1.5398 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1873 2.4204 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6135 3.1134 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 -2.5835 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6695 -2.1007 1.6822 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