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
3.1400 0.1208 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1689 -0.7670 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 -0.4091 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 0.8668 0.1281 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 1.1818 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0890 2.5426 0.7511 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7490 0.2627 0.3174 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -1.0157 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2096 -1.3191 -0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5323 -1.9983 -0.0941 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1536 -0.1348 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9079 1.1477 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4271 -1.7780 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0822 2.8005 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3266 3.2473 0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 -2.4400 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0806 -2.3082 0.7294 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