1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol

C15H20N4O2 — CID 168996364

IUPAC1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol
SMILESCCCCOc1cnc2c(N3CC(C)(O)C3)nncc2c1
InChIInChI=1S/C15H20N4O2/c1-3-4-5-21-12-6-11-7-17-18-14(13(11)16-8-12)19-9-15(2,20)10-19/h6-8,20H,3-5,9-10H2,1-2H3
InChIKeyMSKSUVGIBRKKJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.77
Rot. Bonds5

About 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol

1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol (PubChem CID 168996364) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol
PubChem CID168996364
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol
SMILESCCCCOc1cnc2c(N3CC(C)(O)C3)nncc2c1
InChIInChI=1S/C15H20N4O2/c1-3-4-5-21-12-6-11-7-17-18-14(13(11)16-8-12)19-9-15(2,20)10-19/h6-8,20H,3-5,9-10H2,1-2H3
InChIKeyMSKSUVGIBRKKJR-UHFFFAOYSA-N
XLogP1.77
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol 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

ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol
CID 168997905
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
1,3,5-tributoxybenzene
CID 15933337
6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 170121840
7-pentoxyisoquinoline
CID 151702579
6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997722
1-(5-butoxy-3-pyridinyl)piperazine
CID 22478494
5-butoxy-2-methylpyridine
CID 13154052
3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane
CID 144686793
4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole
CID 143262506
5-butoxypyridine-3-carboxylic acid
CID 63851154
1-(5-butoxy-3-pyridinyl)-1,5-diazocane
CID 11494630

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol (CID 168996364) is 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol is CCCCOc1cnc2c(N3CC(C)(O)C3)nncc2c1.
What is the InChIKey of 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol?
The InChIKey is MSKSUVGIBRKKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-4-5-21-12-6-11-7-17-18-14(13(11)16-8-12)19-9-15(2,20)10-19/h6-8,20H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol?
1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 168996364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).