2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

C17H18N8O — CID 126912913

IUPAC2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cnn(-c2ccc3nnc(C4CCN(Cc5ncco5)CC4)n3n2)c1
InChIInChI=1S/C17H18N8O/c1-6-19-24(8-1)15-3-2-14-20-21-17(25(14)22-15)13-4-9-23(10-5-13)12-16-18-7-11-26-16/h1-3,6-8,11,13H,4-5,9-10,12H2
InChIKeyOXYYDMBIAPKREK-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.68
Rot. Bonds4

About 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126912913) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID126912913
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cnn(-c2ccc3nnc(C4CCN(Cc5ncco5)CC4)n3n2)c1
InChIInChI=1S/C17H18N8O/c1-6-19-24(8-1)15-3-2-14-20-21-17(25(14)22-15)13-4-9-23(10-5-13)12-16-18-7-11-26-16/h1-3,6-8,11,13H,4-5,9-10,12H2
InChIKeyOXYYDMBIAPKREK-UHFFFAOYSA-N
XLogP1.68
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 126912913) is 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is c1cnn(-c2ccc3nnc(C4CCN(Cc5ncco5)CC4)n3n2)c1.
What is the InChIKey of 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is OXYYDMBIAPKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-6-19-24(8-1)15-3-2-14-20-21-17(25(14)22-15)13-4-9-23(10-5-13)12-16-18-7-11-26-16/h1-3,6-8,11,13H,4-5,9-10,12H2.
What are the key properties of 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole?
2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 350.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126912913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).