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
3.0581 0.6042 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2971 -0.4647 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8533 -0.3255 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0732 -1.4075 -0.1441 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2569 -1.2280 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0954 -2.3736 -0.2361 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7795 0.0050 0.0051 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0082 1.1128 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3191 0.8946 0.0895 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 2.4201 0.2503 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5953 1.5630 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1313 0.4904 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7675 -1.4620 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9577 -3.2472 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9013 -2.3787 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0543 2.6962 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 3.1010 -0.5190 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