3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole

C16H16N8O2 — CID 154494094

IUPAC3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
SMILESCOc1c(C2CCC2)c(-c2ncn(C)n2)nn2c(-c3ccon3)nnc12
InChIInChI=1S/C16H16N8O2/c1-23-8-17-14(21-23)12-11(9-4-3-5-9)13(25-2)16-19-18-15(24(16)20-12)10-6-7-26-22-10/h6-9H,3-5H2,1-2H3
InChIKeyUOUFSVGPXYWYFQ-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.85
Rot. Bonds4

About 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole

3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole (PubChem CID 154494094) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
PubChem CID154494094
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
SMILESCOc1c(C2CCC2)c(-c2ncn(C)n2)nn2c(-c3ccon3)nnc12
InChIInChI=1S/C16H16N8O2/c1-23-8-17-14(21-23)12-11(9-4-3-5-9)13(25-2)16-19-18-15(24(16)20-12)10-6-7-26-22-10/h6-9H,3-5H2,1-2H3
InChIKeyUOUFSVGPXYWYFQ-UHFFFAOYSA-N
XLogP1.85
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The IUPAC name of 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole (CID 154494094) is 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole is COc1c(C2CCC2)c(-c2ncn(C)n2)nn2c(-c3ccon3)nnc12.
What is the InChIKey of 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
The InChIKey is UOUFSVGPXYWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-23-8-17-14(21-23)12-11(9-4-3-5-9)13(25-2)16-19-18-15(24(16)20-12)10-6-7-26-22-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole?
3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole has a molecular weight of 352.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-cyclobutyl-8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 154494094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).