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

C17H25N5O2 — CID 97009492

IUPAC3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCC(OC[C@H]4CCCCO4)CC3)nn12
InChIInChI=1S/C17H25N5O2/c1-13-18-19-16-5-6-17(20-22(13)16)21-9-7-14(8-10-21)24-12-15-4-2-3-11-23-15/h5-6,14-15H,2-4,7-12H2,1H3/t15-/m1/s1
InChIKeyZQIQZIQMSYOVOJ-OAHLLOKOSA-N
MW331.42 g/mol
LogP1.99
Rot. Bonds4

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

3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 97009492) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID97009492
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCC(OC[C@H]4CCCCO4)CC3)nn12
InChIInChI=1S/C17H25N5O2/c1-13-18-19-16-5-6-17(20-22(13)16)21-9-7-14(8-10-21)24-12-15-4-2-3-11-23-15/h5-6,14-15H,2-4,7-12H2,1H3/t15-/m1/s1
InChIKeyZQIQZIQMSYOVOJ-OAHLLOKOSA-N
XLogP1.99
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-methyl-6-[4-(oxan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 56778614
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117
2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 127418614
2-[(4-chlorophenyl)methyl]-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 133494277
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 154581408
2-cyclohexyloxy-6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyrazine
CID 133485842
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074495
N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447468
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874
6-[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 134161453
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 97009492) is 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCC(OC[C@H]4CCCCO4)CC3)nn12.
What is the InChIKey of 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZQIQZIQMSYOVOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-18-19-16-5-6-17(20-22(13)16)21-9-7-14(8-10-21)24-12-15-4-2-3-11-23-15/h5-6,14-15H,2-4,7-12H2,1H3/t15-/m1/s1.
What are the key properties of 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 331.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 97009492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).