7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one

C15H8F2N4O3 — CID 133424541

IUPAC7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one
SMILESO=c1ccc2ccc(Oc3ccc4nnc(C(F)F)n4n3)cc2o1
InChIInChI=1S/C15H8F2N4O3/c16-14(17)15-19-18-11-4-5-12(20-21(11)15)23-9-3-1-8-2-6-13(22)24-10(8)7-9/h1-7,14H
InChIKeyCRNHKEVGSOOLBD-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.96
Rot. Bonds3

About 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one

7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one (PubChem CID 133424541) has the molecular formula C15H8F2N4O3 and a molecular weight of 330.25 g/mol. Its IUPAC name is 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one.

Molecular Properties

Compound Name7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one
PubChem CID133424541
Molecular FormulaC15H8F2N4O3
Molecular Weight330.25 g/mol
Exact Mass330.06
IUPAC Name7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one
SMILESO=c1ccc2ccc(Oc3ccc4nnc(C(F)F)n4n3)cc2o1
InChIInChI=1S/C15H8F2N4O3/c16-14(17)15-19-18-11-4-5-12(20-21(11)15)23-9-3-1-8-2-6-13(22)24-10(8)7-9/h1-7,14H
InChIKeyCRNHKEVGSOOLBD-UHFFFAOYSA-N
XLogP2.96
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one?
The IUPAC name of 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one (CID 133424541) is 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one.
What is the SMILES notation for 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one?
The canonical SMILES for 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one is O=c1ccc2ccc(Oc3ccc4nnc(C(F)F)n4n3)cc2o1.
What is the InChIKey of 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one?
The InChIKey is CRNHKEVGSOOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4O3/c16-14(17)15-19-18-11-4-5-12(20-21(11)15)23-9-3-1-8-2-6-13(22)24-10(8)7-9/h1-7,14H.
What are the key properties of 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one?
7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one has a molecular weight of 330.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]chromen-2-one is sourced from PubChem (CID 133424541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).