3-Chloro-6-piperazinopyridazine - CAS 56392-83-7
Catalog: |
BB029348 |
Product Name: |
3-Chloro-6-piperazinopyridazine |
CAS: |
56392-83-7 |
Synonyms: |
3-chloro-6-(1-piperazinyl)pyridazine; 3-chloro-6-piperazin-1-ylpyridazine |
IUPAC Name: | 3-chloro-6-piperazin-1-ylpyridazine |
Description: | 3-Chloro-6-piperazinopyridazine (CAS# 56392-83-7) is a useful research chemical. |
Molecular Weight: | 198.65 |
Molecular Formula: | C8H11ClN4 |
Canonical SMILES: | C1CN(CCN1)C2=NN=C(C=C2)Cl |
InChI: | InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2 |
InChI Key: | DXPPQFXYIZTQCV-UHFFFAOYSA-N |
Boiling Point: | 430.8 ℃ at 760 mmHg |
Density: | 1.272 g/cm3 |
MDL: | MFCD05858981 |
LogP: | 0.93340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020198526-A2 | Small molecule modulators of pank | 20190327 |
EP-3237406-B1 | 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts inhibitors for the treatment of osteoarthritis | 20141222 |
EP-3575294-A1 | 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts inhibitors for the treatment of osteoarthritis | 20141222 |
EP-2555773-A1 | Combinations of medicaments, containing pde4 inhibitors and ep4 receptor antagonists | 20100408 |
JP-2013529184-A | Pharmaceutical combination containing a PDE4 inhibitor and an EP4 receptor antagonist | 20100408 |
PMID | Publication Date | Title | Journal |
12190322 | 20020829 | 6-Chloropyridazin-3-yl derivatives active as nicotinic agents: synthesis, binding, and modeling studies | Journal of medicinal chemistry |
11689081 | 20011108 | Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP) | Journal of medicinal chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0672241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0672241 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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