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

C18H10N4O3S — CID 133488185

IUPAC7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one
SMILESO=c1ccc2ccc(Oc3ccc4nnc(-c5ccsc5)n4n3)cc2o1
InChIInChI=1S/C18H10N4O3S/c23-17-6-2-11-1-3-13(9-14(11)25-17)24-16-5-4-15-19-20-18(22(15)21-16)12-7-8-26-10-12/h1-10H
InChIKeySPGPPNAFYUSODX-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.75
Rot. Bonds3

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

7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one (PubChem CID 133488185) has the molecular formula C18H10N4O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one.

Molecular Properties

Compound Name7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one
PubChem CID133488185
Molecular FormulaC18H10N4O3S
Molecular Weight362.37 g/mol
Exact Mass362.05
IUPAC Name7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one
SMILESO=c1ccc2ccc(Oc3ccc4nnc(-c5ccsc5)n4n3)cc2o1
InChIInChI=1S/C18H10N4O3S/c23-17-6-2-11-1-3-13(9-14(11)25-17)24-16-5-4-15-19-20-18(22(15)21-16)12-7-8-26-10-12/h1-10H
InChIKeySPGPPNAFYUSODX-UHFFFAOYSA-N
XLogP3.75
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one?
The IUPAC name of 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one (CID 133488185) is 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one.
What is the SMILES notation for 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one?
The canonical SMILES for 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one is O=c1ccc2ccc(Oc3ccc4nnc(-c5ccsc5)n4n3)cc2o1.
What is the InChIKey of 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one?
The InChIKey is SPGPPNAFYUSODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O3S/c23-17-6-2-11-1-3-13(9-14(11)25-17)24-16-5-4-15-19-20-18(22(15)21-16)12-7-8-26-10-12/h1-10H.
What are the key properties of 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one?
7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one has a molecular weight of 362.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one is sourced from PubChem (CID 133488185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).