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
3.0655 0.5692 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2676 -0.4680 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8313 -0.2960 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3004 0.9004 0.1585 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 1.0935 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 2.3909 0.4826 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 0.0110 0.0582 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2973 -1.2171 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 -1.3592 -0.2443 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1050 -2.3701 -0.3656 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 1.5571 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1330 0.4299 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6644 -1.4474 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0919 2.6394 1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3400 3.1343 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4315 -2.6014 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3612 -2.9665 0.4452 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