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

C16H23N5O3 — CID 126911789

IUPAC3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol
SMILESCOc1ccc2nnc(C3CCN(CC4(O)CCOC4)CC3)n2n1
InChIInChI=1S/C16H23N5O3/c1-23-14-3-2-13-17-18-15(21(13)19-14)12-4-7-20(8-5-12)10-16(22)6-9-24-11-16/h2-3,12,22H,4-11H2,1H3
InChIKeyLFUPBMDZLCKKRW-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.46
Rot. Bonds4

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

3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol (PubChem CID 126911789) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol
PubChem CID126911789
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol
SMILESCOc1ccc2nnc(C3CCN(CC4(O)CCOC4)CC3)n2n1
InChIInChI=1S/C16H23N5O3/c1-23-14-3-2-13-17-18-15(21(13)19-14)12-4-7-20(8-5-12)10-16(22)6-9-24-11-16/h2-3,12,22H,4-11H2,1H3
InChIKeyLFUPBMDZLCKKRW-UHFFFAOYSA-N
XLogP0.46
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.46
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]oxolan-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]oxan-3-ol
CID 126911780
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
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
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
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

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]oxolan-3-ol?
The IUPAC name of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol (CID 126911789) is 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-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]oxolan-3-ol?
The canonical SMILES for 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol is COc1ccc2nnc(C3CCN(CC4(O)CCOC4)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]oxolan-3-ol?
The InChIKey is LFUPBMDZLCKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-23-14-3-2-13-17-18-15(21(13)19-14)12-4-7-20(8-5-12)10-16(22)6-9-24-11-16/h2-3,12,22H,4-11H2,1H3.
What are the key properties of 3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol?
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxolan-3-ol has a molecular weight of 333.39 g/mol, XLogP of 0.46, 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]oxolan-3-ol is sourced from PubChem (CID 126911789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).