[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol

C16H26N6O — CID 176502530

IUPAC[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1nn2cnnc2c(NCCCN2CCCCC2CO)c1C
InChIInChI=1S/C16H26N6O/c1-12-13(2)20-22-11-18-19-16(22)15(12)17-7-5-9-21-8-4-3-6-14(21)10-23/h11,14,17,23H,3-10H2,1-2H3
InChIKeyAYXZIXUZMRLJKN-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.39
Rot. Bonds6

About [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol

[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 176502530) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID176502530
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCc1nn2cnnc2c(NCCCN2CCCCC2CO)c1C
InChIInChI=1S/C16H26N6O/c1-12-13(2)20-22-11-18-19-16(22)15(12)17-7-5-9-21-8-4-3-6-14(21)10-23/h11,14,17,23H,3-10H2,1-2H3
InChIKeyAYXZIXUZMRLJKN-UHFFFAOYSA-N
XLogP1.39
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
CID 176504271
[(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-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 50965968
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[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
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 125175051
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol (CID 176502530) is [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol is Cc1nn2cnnc2c(NCCCN2CCCCC2CO)c1C.
What is the InChIKey of [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is AYXZIXUZMRLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-12-13(2)20-22-11-18-19-16(22)15(12)17-7-5-9-21-8-4-3-6-14(21)10-23/h11,14,17,23H,3-10H2,1-2H3.
What are the key properties of [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol?
[1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 318.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 176502530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).