3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine

C12H8N6CAS 1671-87-0236.24 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C12H8N6
Molar mass
236.24 g/mol
Exact mass
236.0810 Da
Melting point
222 °C
logP
1.39Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1671-87-0
SMILES
c1ccc(-c2nnc(-c3ccccn3)nn2)nc1
InChIKey
JFBIRMIEJBPDTQ-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1,2,4,5-Tetrazine, 3,6-di-2-pyridinyl-
  • 3,6-(2-Pyridinyl)-1,2,4,5-tetrazine
  • 3,6-Bi-2-pyridyl-1,2,4,5-tetrazine
  • 3,6-Bis(2-pyridyl)tetrazine
  • s-Tetrazine, 3,6-di-2-pyridyl-
  • s-Tetrazine, di-2-pyridyl-
  • 3,6-Di-2-pyridinyl-1,2,4,5-tetrazine
  • 3,6-Di-2-pyridyl-s-tetrazine
  • 3,6-Di-2-pyridyl-1,2,4,5-tetrazine
  • 3,6-Bis(2-pyridyl)-s-tetrazine
  • 3,6-Bis(2-pyridinyl)-1,2,4,5-tetrazine
  • Bptz
  • NSC 238155

Work with 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-771 % similar 2,2'-Bipyridine366-18-768 % similar 2-Phenylpyridine1008-89-564 % similar 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine1046-56-659 % similar 2,4'-Bipyridine581-47-558 % similar Terpyridine1148-79-457 % similar Tris(bipyridine)ruthenium(II) chloride14323-06-954 % similar (2,2'-Bipyridine)dichloropalladium(II)14871-92-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-1

Elsewhere

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