Synonyms
3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine
IUPAC Name
3,6-dipyridin-2-yl-1,2,4,5-tetrazine;
Molecular Weight
236.24
Molecular Formula
C12H8N6
Canonical SMILES
C1=CC=NC(=C1)C2=NN=C(N=N2)C3=CC=CC=N3;
InChI
InChI=1S/C12H8N6/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10/h1-8H
InChI Key
JFBIRMIEJBPDTQ-UHFFFAOYSA-N
Melting Point
225 °C
Purity
>98.0%(HPLC)
Appearance
Red to Dark red to Brown powder to crystal
Storage
Store under inert gas
Complexity
227
Covalently-Bonded Unit Count
1
Exact Mass
236.081g/mol
H-Bond Acceptor
6
Heavy Atom Count
18
MDL Number
MFCD00121717
Monoisotopic Mass
236.081g/mol
NSC Number
238155
Refractive Index
1.62
Rotatable Bond Count
2
Topological Polar Surface Area
77.3A^2
