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
2.9948 -1.0932 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3666 0.0329 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9248 0.1018 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1921 -0.9620 -0.1951 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1299 -0.8958 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9354 -1.9999 -0.7152 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7476 0.2874 -0.1743 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 1.4005 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2522 1.2773 0.3178 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7651 2.6292 0.3512 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4569 -1.9766 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0681 -1.1472 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8965 0.9169 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 -2.4162 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8972 -2.3799 -1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3576 3.0796 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 3.1451 1.2737 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