AG001X4L

1671-87-0 | 1,2,4,5-Tetrazine, 3,6-di-2-pyridinyl-

AG001X4L

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CAS Number	1671-87-0
Catalog Number	AG001X4L(AGN-PC-0JOVCI)
Chemical Name	1,2,4,5-Tetrazine, 3,6-di-2-pyridinyl-
IUPAC Name	3,6-dipyridin-2-yl-1,2,4,5-tetrazine
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
MDL Number	MFCD00121717
Molecular Formula	C12H8N6
Molecular Weight	236.2321
NSC Number	238155
SMILES	C1(C2=NC=CC=C2)=NN=C(C3=NC=CC=C3)N=N1
Synonyms	3,6-bis(2-pyridyl)-1,2,4,5-tetrazine, bptz compound, 1671-87-0, 3,6-di(pyridin-2-yl)-1,2,4,5-tetrazine, 3,6-Di(2-pyridyl)-1,2,4,5-tetrazine, 3,6-Di-2-pyridinyl-1,2,4,5-tetrazine, 3,6-Di-2-pyridyl-1,2,4,5-tetrazine, 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine, 3,6-dipyridin-2-yl-1,2,4,5-tetrazine, MLS000038825, MFCD00121717, AK-86506, SMR000034589, 3,6-Bis(2-pyridinyl)-1,2,4,5-tetrazine, 1,2,4,5-Tetrazine, 3,6-di-2-pyridinyl-, Bptz, NSC238155, ACMC-209dvt, AC1L7QZV, cid_315109, SCHEMBL2852298, 3,6-Di-2-pyridyl-s-tetrazine, CHEMBL1519146, BDBM41205, CTK4D2571, DTXSID30311116, 3,6-Di(2-pyridyl)-s-tetrazine, HMS2750C04, ZINC198788, KS-00000NF7, ANW-22263, CL8001, STK792988, AKOS005611188, MCULE-6801268759, NSC-238155, bis(pyridin-2-yl)-1,2,4,5-tetrazine, AJ-17847, AN-49659, AS-18149, ZB009483, DB-026020, ST2404655, TC-111008, 1,2,4,5-Tetrazine,3,6-di-2-pyridinyl-, 3,6-di(2-pyridinyl)-1,2,4,5-tetraazine, CS-0037379, D3640, FT-0614750, W3633, 3,6-Di-2-pyridyl-1,2,4,5-tetrazine, 96%, 671D870, AE-848/01001002, C-57343, J-010344, I14-49632, c1(nnc(nn1)c2ccccn2)c3ccccn3, C12H8N6, CID315109, 3,6-Di-2-pyridyl-1,2,4,5-tetrazine, 98% - 1G 1g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.081g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.238g/mol
Monoisotopic Mass	236.081g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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