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
3.1377 0.2235 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2088 -0.7081 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 -0.4082 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4080 0.8551 0.1721 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8808 1.1883 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 2.5406 0.4479 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7954 0.2227 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4413 -1.0584 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 -1.3601 -0.2575 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3766 -2.0941 -0.4509 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8129 1.2462 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1821 -0.0485 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 -1.7398 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4301 3.1652 -0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3351 2.9054 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8886 -2.4948 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 -2.4351 -1.4109 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