Research chemical
CAS Number: 109890-29-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
13887384
Exact Mass
211.074562
InChIKey
XUMDZDHLUHCECA-UHFFFAOYSA-N
IUPAC Name
3-indol-1-yl-1H-pyridazin-6-one
SMILES String
Oc1ccc(-n2ccc3ccccc32)nn1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
3(2H)-Pyridazinone, 6-(1H-indol-1-yl)- is identified by CAS 109890-29-1, with molecular formula C12H9N3O, molecular weight 211.22, InChIKey XUMDZDHLUHCECA-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with cGMP-dependent 3',5'-cyclic phosphodiesterase. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
16
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
1
Ring count
3
Aromatic rings
3
Topological polar surface area
50.94 Ų
Computed LogP
2.13
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
3(2H)-Pyridazinone, 6-(1H-indol-1-yl)- (CAS 109890-29-1) is maintained as a cataloged research chemical with formula C12H9N3O, molecular weight 211. 22 g/mol, PubChem CID 13887384.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
ChEMBL reports experimental activity evidence for: cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
cGMP-dependent 3',5'-cyclic phosphodiesterase
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.