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

C17H28N6O — CID 176504271

IUPAC[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCC(C)c1cc(NCCCN2CCCCC2CO)c2nncn2n1
InChIInChI=1S/C17H28N6O/c1-13(2)15-10-16(17-20-19-12-23(17)21-15)18-7-5-9-22-8-4-3-6-14(22)11-24/h10,12-14,18,24H,3-9,11H2,1-2H3
InChIKeyYOUQTJPPIBUBRR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.90
Rot. Bonds7

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

[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 176504271) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID176504271
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCC(C)c1cc(NCCCN2CCCCC2CO)c2nncn2n1
InChIInChI=1S/C17H28N6O/c1-13(2)15-10-16(17-20-19-12-23(17)21-15)18-7-5-9-22-8-4-3-6-14(22)11-24/h10,12-14,18,24H,3-9,11H2,1-2H3
InChIKeyYOUQTJPPIBUBRR-UHFFFAOYSA-N
XLogP1.90
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
CID 176502530
[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
CID 97281554
[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
CID 134705653
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
CID 131906846
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
CID 134711273
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide
CID 46995136
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol (CID 176504271) is [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol is CC(C)c1cc(NCCCN2CCCCC2CO)c2nncn2n1.
What is the InChIKey of [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is YOUQTJPPIBUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-13(2)15-10-16(17-20-19-12-23(17)21-15)18-7-5-9-22-8-4-3-6-14(22)11-24/h10,12-14,18,24H,3-9,11H2,1-2H3.
What are the key properties of [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 176504271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).