2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol

C20H26N4O — CID 135525247

IUPAC2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol
SMILESCc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1O
InChIInChI=1S/C20H26N4O/c1-14-13-19(22-23-20(14)17-7-2-3-8-18(17)25)21-11-12-24-15-5-4-6-16(24)10-9-15/h2-3,7-8,13,15-16,25H,4-6,9-12H2,1H3,(H,21,22)
InChIKeyJFRJXKLPHVKXSH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.59
Rot. Bonds5

About 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol

2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol (PubChem CID 135525247) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol
PubChem CID135525247
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol
SMILESCc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1O
InChIInChI=1S/C20H26N4O/c1-14-13-19(22-23-20(14)17-7-2-3-8-18(17)25)21-11-12-24-15-5-4-6-16(24)10-9-15/h2-3,7-8,13,15-16,25H,4-6,9-12H2,1H3,(H,21,22)
InChIKeyJFRJXKLPHVKXSH-UHFFFAOYSA-N
XLogP3.59
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol with MolForge

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Related Compounds

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
Moxiraprine
CID 71258
SMARCA-BD ligand 1 for Protac
CID 137045944
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
US11208399, Example 48
CID 155284639
US11208399, Example 12
CID 155284666

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol?
The IUPAC name of 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol (CID 135525247) is 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol is Cc1cc(NCCN2C3CCCC2CC3)nnc1-c1ccccc1O.
What is the InChIKey of 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol?
The InChIKey is JFRJXKLPHVKXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-13-19(22-23-20(14)17-7-2-3-8-18(17)25)21-11-12-24-15-5-4-6-16(24)10-9-15/h2-3,7-8,13,15-16,25H,4-6,9-12H2,1H3,(H,21,22).
What are the key properties of 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol?
2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol has a molecular weight of 338.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethylamino]-4-methylpyridazin-3-yl]phenol is sourced from PubChem (CID 135525247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).