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
3.0443 0.6994 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8439 1.2404 -0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6657 0.5290 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7343 -0.7543 0.1681 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4002 -1.3351 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4311 -2.6865 1.0590 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5977 -0.6965 0.5908 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6647 0.5772 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5231 1.1515 -0.2537 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9128 1.2948 0.1502 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8634 1.2951 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2651 -0.3106 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7177 2.2587 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0712 -2.9660 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1738 -3.4330 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5695 1.2998 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1380 1.8361 -0.7371 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