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Compound PDK0349

CAT: 0931-PDK0349-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0349-02Size:200 mg
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CAS Number
7252-84-8
Bioactivity
Compound PDK0349, with CAS No. 7252-84-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0349 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
COC1=CC=C(N)N=N1
Molecular Formula
C5H7N3O
Molecular Weight
125.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Methoxypyridazin-3-amine
CAS Number7252-84-8
PubChem CID81673
IUPAC Name6-methoxypyridazin-3-amine
Molecular FormulaC5H7N3O
Molecular Weight125.13
XLogP-0.4
Topological Polar Surface Area61
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity88
SMILES
COC1=NN=C(C=C1)N
InChI
InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)
InChIKey
YPWBPONDYDVMLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxypyridazin-3-amine
CAS: 7252-84-8
CID: 81673
Formula: C5H7N3O
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass125.058911855
Monoisotopic Mass125.058911855
Topological Polar Surface Area61 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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PDK0329-01Compound PDK0329
PDK0345-01Compound PDK0345
PDK0399-01Compound PDK0399
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