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
3.0068 -1.0151 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3836 0.1018 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9257 0.1435 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2366 1.2802 0.4975 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0970 1.3673 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7906 2.5897 0.7540 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8130 0.2452 0.2302 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1393 -0.9008 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1943 -0.9579 -0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9144 -2.0603 -0.2863 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0997 -1.0135 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4434 -1.9065 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9099 1.0276 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3004 3.3704 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7764 2.6825 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 -2.4332 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4784 -2.5209 0.4353 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