3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine

Catalog Number	ACM1671870-1
CAS	1671-87-0
Structure
Synonyms	3,6-Dipyridin-2-yl-1,2,4,5-tetrazine
IUPAC Name	3,6-dipyridin-2-yl-1,2,4,5-tetrazine
Molecular Weight	236.23
Molecular Formula	C12H8N6
Canonical SMILES	C1=CC=NC(=C1)C2=NN=C(N=N2)C3=CC=CC=N3
InChI	JFBIRMIEJBPDTQ-UHFFFAOYSA-N
InChI Key	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
Boiling Point	509.1 °C at 760 mmHg
Melting Point	225 °C (dec.)-lit.
Purity	97%
Exact Mass	236.08104428
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	236.08104428
Rotatable Bond Count	2
Topological Polar Surface Area	77.3 Ų