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
3.1655 -0.3814 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2824 0.5452 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8436 0.3126 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3721 -0.8803 0.3188 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9680 -1.0837 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -2.3615 0.8516 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8306 -0.1100 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3776 1.0891 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0520 1.2443 -0.4490 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 2.1448 -0.7768 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 -0.1686 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8101 -1.3398 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6058 1.5051 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4347 -2.6096 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7923 -3.0214 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1035 1.9885 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0448 3.1265 -0.4836 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