3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide

C11H17N5O4S — CID 10710436

IUPAC3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
SMILESCOc1cc2ncnn2nc1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C11H17N5O4S/c1-11(2,6-21(12,17)18)5-20-10-8(19-3)4-9-13-7-14-16(9)15-10/h4,7H,5-6H2,1-3H3,(H2,12,17,18)
InChIKeyYPZBIBLFFOTTFI-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.17
Rot. Bonds6

About 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide

3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 10710436) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
PubChem CID10710436
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
SMILESCOc1cc2ncnn2nc1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C11H17N5O4S/c1-11(2,6-21(12,17)18)5-20-10-8(19-3)4-9-13-7-14-16(9)15-10/h4,7H,5-6H2,1-3H3,(H2,12,17,18)
InChIKeyYPZBIBLFFOTTFI-UHFFFAOYSA-N
XLogP-0.17
TPSA121.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide (CID 10710436) is 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide is COc1cc2ncnn2nc1OCC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is YPZBIBLFFOTTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-11(2,6-21(12,17)18)5-20-10-8(19-3)4-9-13-7-14-16(9)15-10/h4,7H,5-6H2,1-3H3,(H2,12,17,18).
What are the key properties of 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide?
3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 10710436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).