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

C16H20N6O2 — CID 126911694

IUPAC3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc2nnc(C3CCN(Cc4cc(C)on4)CC3)n2n1
InChIInChI=1S/C16H20N6O2/c1-11-9-13(20-24-11)10-21-7-5-12(6-8-21)16-18-17-14-3-4-15(23-2)19-22(14)16/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyRGXBMNYIAQHKMY-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.81
Rot. Bonds4

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

3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 126911694) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID126911694
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc2nnc(C3CCN(Cc4cc(C)on4)CC3)n2n1
InChIInChI=1S/C16H20N6O2/c1-11-9-13(20-24-11)10-21-7-5-12(6-8-21)16-18-17-14-3-4-15(23-2)19-22(14)16/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyRGXBMNYIAQHKMY-UHFFFAOYSA-N
XLogP1.81
TPSA81.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
4-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911668
5-cyclobutyl-3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126911649
5-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126911660
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
CID 126911679
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126911690
6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911730
2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-(5-methylfuran-2-yl)ethanol
CID 126911775
6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911606
4-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-4-ol
CID 126911781
6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911815
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126855988

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 126911694) is 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole is COc1ccc2nnc(C3CCN(Cc4cc(C)on4)CC3)n2n1.
What is the InChIKey of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is RGXBMNYIAQHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-9-13(20-24-11)10-21-7-5-12(6-8-21)16-18-17-14-3-4-15(23-2)19-22(14)16/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 328.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 126911694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).