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

C17H25N5O3 — CID 126911780

IUPAC3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol
SMILESCOc1ccc2nnc(C3CCN(CC4(O)CCCOC4)CC3)n2n1
InChIInChI=1S/C17H25N5O3/c1-24-15-4-3-14-18-19-16(22(14)20-15)13-5-8-21(9-6-13)11-17(23)7-2-10-25-12-17/h3-4,13,23H,2,5-12H2,1H3
InChIKeyJOMJCKPXBCHWAQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.85
Rot. Bonds4

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

3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol (PubChem CID 126911780) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol
PubChem CID126911780
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol
SMILESCOc1ccc2nnc(C3CCN(CC4(O)CCCOC4)CC3)n2n1
InChIInChI=1S/C17H25N5O3/c1-24-15-4-3-14-18-19-16(22(14)20-15)13-5-8-21(9-6-13)11-17(23)7-2-10-25-12-17/h3-4,13,23H,2,5-12H2,1H3
InChIKeyJOMJCKPXBCHWAQ-UHFFFAOYSA-N
XLogP0.85
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol with MolForge

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Related Compounds

3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol
CID 126911789
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-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911730
4-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911668
6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911606
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
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
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
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-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911601
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

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]oxan-3-ol?
The IUPAC name of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol (CID 126911780) is 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol.
What is the SMILES notation for 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol?
The canonical SMILES for 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol is COc1ccc2nnc(C3CCN(CC4(O)CCCOC4)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]oxan-3-ol?
The InChIKey is JOMJCKPXBCHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-24-15-4-3-14-18-19-16(22(14)20-15)13-5-8-21(9-6-13)11-17(23)7-2-10-25-12-17/h3-4,13,23H,2,5-12H2,1H3.
What are the key properties of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol?
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol has a molecular weight of 347.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 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]oxan-3-ol is sourced from PubChem (CID 126911780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).