Products for Research Use Only

Pyridazin-4-ol

CAT: 0013-GTR19257415-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257415-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pyridazin-4-ol, with CAS No. 17417-57-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. pyridazin-4-ol 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.
CAS Number
17417-57-1
Purity
≥95% (May vary between batches)
Smiles
O=C1C=NNC=C1
Molecular Formula
C4H4N2O
Molecular Weight
96.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyridazin-4-ol
CAS Number17417-57-1
PubChem CID565900
IUPAC Name1H-pyridazin-4-one
Molecular FormulaC4H4N2O
Molecular Weight96.09
XLogP-0.1
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity137
SMILES
C1=CNN=CC1=O
InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-6-3-4/h1-3H,(H,5,7)
InChIKey
VHVUTJZQFZBIRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridazin-4-ol
CAS: 17417-57-1
CID: 565900
Formula: C4H4N2O
MW: 96.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight96.09
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass96.032362755
Monoisotopic Mass96.032362755
Topological Polar Surface Area41.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity137
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