4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide

C22H16N6O2 — CID 25065133

IUPAC4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C22H16N6O2/c23-22(29)15-6-7-16-18(12-15)24-11-10-19(16)30-13-21-26-25-20-9-8-17(27-28(20)21)14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,29)
InChIKeyRGEJEDSSEOGCRM-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.02
Rot. Bonds5

About 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide

4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide (PubChem CID 25065133) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide
PubChem CID25065133
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C22H16N6O2/c23-22(29)15-6-7-16-18(12-15)24-11-10-19(16)30-13-21-26-25-20-9-8-17(27-28(20)21)14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,29)
InChIKeyRGEJEDSSEOGCRM-UHFFFAOYSA-N
XLogP3.02
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?
The IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide (CID 25065133) is 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide.
What is the SMILES notation for 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?
The canonical SMILES for 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide is NC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?
The InChIKey is RGEJEDSSEOGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c23-22(29)15-6-7-16-18(12-15)24-11-10-19(16)30-13-21-26-25-20-9-8-17(27-28(20)21)14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,29).
What are the key properties of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?
4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide is sourced from PubChem (CID 25065133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).