2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol

C16H20N4O — CID 137029491

IUPAC2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol
SMILESCN1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H20N4O/c1-20-8-6-11(7-9-20)13-10-14(18-19-16(13)17)12-4-2-3-5-15(12)21/h2-5,10-11,21H,6-9H2,1H3,(H2,17,19)
InChIKeyKOAJRRBIVSCDEV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.24
Rot. Bonds2

About 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol (PubChem CID 137029491) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol
PubChem CID137029491
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol
SMILESCN1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H20N4O/c1-20-8-6-11(7-9-20)13-10-14(18-19-16(13)17)12-4-2-3-5-15(12)21/h2-5,10-11,21H,6-9H2,1H3,(H2,17,19)
InChIKeyKOAJRRBIVSCDEV-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
SMARCA-BD ligand 1 for Protac
CID 137045944
US11208399, Example 4
CID 155284580
US11208399, Example 47
CID 155284633
US11208399, Example 53
CID 155284733
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
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
US10308614, Example 6
CID 137029398
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
US11208399, Example 48
CID 155284639
Phenol, 2-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 135770314

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol (CID 137029491) is 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol is CN1CCC(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol?
The InChIKey is KOAJRRBIVSCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-8-6-11(7-9-20)13-10-14(18-19-16(13)17)12-4-2-3-5-15(12)21/h2-5,10-11,21H,6-9H2,1H3,(H2,17,19).
What are the key properties of 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-methylpiperidin-4-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).