5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole

C15H18N6O — CID 126910270

IUPAC5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1ccc2nnc(C3CCN(Cc4ccno4)CC3)n2n1
InChIInChI=1S/C15H18N6O/c1-11-2-3-14-17-18-15(21(14)19-11)12-5-8-20(9-6-12)10-13-4-7-16-22-13/h2-4,7,12H,5-6,8-10H2,1H3
InChIKeyYOKNXEGMMNVNRR-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.80
Rot. Bonds3

About 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole

5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 126910270) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID126910270
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1ccc2nnc(C3CCN(Cc4ccno4)CC3)n2n1
InChIInChI=1S/C15H18N6O/c1-11-2-3-14-17-18-15(21(14)19-11)12-5-8-20(9-6-12)10-13-4-7-16-22-13/h2-4,7,12H,5-6,8-10H2,1H3
InChIKeyYOKNXEGMMNVNRR-UHFFFAOYSA-N
XLogP1.80
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 126910270) is 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1ccc2nnc(C3CCN(Cc4ccno4)CC3)n2n1.
What is the InChIKey of 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is YOKNXEGMMNVNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11-2-3-14-17-18-15(21(14)19-11)12-5-8-20(9-6-12)10-13-4-7-16-22-13/h2-4,7,12H,5-6,8-10H2,1H3.
What are the key properties of 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 298.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126910270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).