[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol

C17H26N6O — CID 176504656

IUPAC[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCc1cc(N2CCC(N3CCCC(CO)C3)CC2)c2nncn2n1
InChIInChI=1S/C17H26N6O/c1-13-9-16(17-19-18-12-23(17)20-13)21-7-4-15(5-8-21)22-6-2-3-14(10-22)11-24/h9,12,14-15,24H,2-8,10-11H2,1H3
InChIKeyCWKHOIACGIKOBB-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.11
Rot. Bonds3

About [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol

[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 176504656) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID176504656
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCc1cc(N2CCC(N3CCCC(CO)C3)CC2)c2nncn2n1
InChIInChI=1S/C17H26N6O/c1-13-9-16(17-19-18-12-23(17)20-13)21-7-4-15(5-8-21)22-6-2-3-14(10-22)11-24/h9,12,14-15,24H,2-8,10-11H2,1H3
InChIKeyCWKHOIACGIKOBB-UHFFFAOYSA-N
XLogP1.11
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
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[(3S)-1-cycloheptylpiperidin-3-yl]methanol
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4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
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[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol
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[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 99948168
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
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(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
CID 81050851
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344

Frequently Asked Questions

What is the IUPAC name of [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol (CID 176504656) is [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol is Cc1cc(N2CCC(N3CCCC(CO)C3)CC2)c2nncn2n1.
What is the InChIKey of [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is CWKHOIACGIKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-9-16(17-19-18-12-23(17)20-13)21-7-4-15(5-8-21)22-6-2-3-14(10-22)11-24/h9,12,14-15,24H,2-8,10-11H2,1H3.
What are the key properties of [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol?
[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 330.44 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 176504656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).