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
3.1681 0.1655 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -0.7717 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8255 -0.4614 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 0.8376 -0.0811 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8291 1.2089 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2433 2.5576 -0.2149 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7828 0.2687 -0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -1.0320 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1594 -1.3651 0.1253 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 -2.0272 0.2139 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2237 -0.0507 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8401 1.1848 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5898 -1.7918 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2753 3.1332 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4934 2.8978 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -2.5310 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8790 -2.2232 1.1493 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