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
-2.9648 0.4955 1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9492 -0.2762 1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6974 -0.1911 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3504 -0.9542 0.9434 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5147 -0.8999 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6052 -1.7365 0.6748 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6316 -0.0389 -0.7353 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5894 0.7389 -1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5630 0.6665 -0.4109 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7482 1.6370 -2.1667 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8831 1.1928 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9154 0.4726 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0521 -0.9571 2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4867 -2.3807 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5065 -1.7210 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0882 1.9986 -2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6804 1.9536 -2.4807 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