3,6-Di-4-pyridyl-1,2,4,5-tetrazine

C₁₂H₈N₆CAS 57654-36-1236.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈N₆
Molar mass: 236.24 g/mol
Exact mass: 236.0810 Da
logP: 1.39Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

57654-36-1

SMILES

C1=CN=CC=C1C2=NN=C(N=N2)C3=CC=NC=C3

InChIKey

MQSMIIJCRWDMDL-UHFFFAOYSA-N

InChI

InChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H

Weigh it out

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Names and synonyms

1 names

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

Work with 3,6-Di-4-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(4-pyridyl)-1,3,5-triazine42333-78-867 % similar 4,4′-Bipyridine553-26-463 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-759 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-954 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-153 % similar 4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)4329-78-652 % similar 2,4'-Bipyridine581-47-552 % similar 4-Phenylpyridine939-23-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine1671-87-0

Elsewhere

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