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
3.1367 0.0154 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1655 -0.8933 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7832 -0.4362 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4805 0.8721 0.0608 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8284 1.2622 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 2.6532 0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8002 0.3373 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5120 -0.9690 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2060 -1.3338 -0.0675 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5044 -1.9836 -0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1747 -0.2733 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9107 1.0728 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4419 -1.9334 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5366 3.1042 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8650 3.2204 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0108 -2.2740 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7323 -2.4411 -1.1031 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