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
3.0522 0.7307 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3325 -0.3136 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8726 -0.2362 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2489 0.9087 0.2964 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0876 0.9862 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 2.2080 0.6604 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 -0.1021 -0.0838 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -1.2555 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1390 -1.3020 -0.4160 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0012 -2.3868 -0.8226 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1264 0.6247 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6218 1.6676 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -1.2460 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 2.3951 1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9472 2.9363 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8582 -2.8763 -1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7432 -2.7388 -0.1978 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