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
3.0541 -0.8865 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2174 -0.0018 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8313 0.1031 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3284 -0.7239 -0.2611 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9543 -0.6478 -0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 -1.5430 -1.6688 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7673 0.2762 -0.1317 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2996 1.1083 0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 1.0031 1.2023 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 2.0615 1.3513 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7555 -1.5864 -0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0724 -0.9382 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5593 0.6797 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7919 -1.7224 -2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3036 -2.0268 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9357 2.5428 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1520 2.3023 2.3541 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