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
3.2146 -0.1665 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2730 0.6601 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8467 0.3572 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3900 -0.8270 -0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9138 -1.1546 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3538 -2.4147 -0.9043 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 -0.1914 -0.0289 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4115 1.0143 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0854 1.2492 0.4844 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 1.9883 0.8335 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 0.1161 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9465 -1.1644 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 1.6355 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2141 -2.4632 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8589 -3.3029 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5929 2.8597 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8784 1.8043 1.7234 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