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

C16H20N4O2 — CID 137045949

IUPAC2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol
SMILESCN1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1
InChIInChI=1S/C16H20N4O2/c1-20-8-4-5-11(10-20)22-15-9-13(18-19-16(15)17)12-6-2-3-7-14(12)21/h2-3,6-7,9,11,21H,4-5,8,10H2,1H3,(H2,17,19)
InChIKeyOPSVQMZPAZYLLI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.90
Rot. Bonds3

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

2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol (PubChem CID 137045949) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol
PubChem CID137045949
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol
SMILESCN1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1
InChIInChI=1S/C16H20N4O2/c1-20-8-4-5-11(10-20)22-15-9-13(18-19-16(15)17)12-6-2-3-7-14(12)21/h2-3,6-7,9,11,21H,4-5,8,10H2,1H3,(H2,17,19)
InChIKeyOPSVQMZPAZYLLI-UHFFFAOYSA-N
XLogP1.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol 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

Prizidilol
CID 71952
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
US10308614, Example 8
CID 137029438
2-[6-amino-5-[(3S)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 162651704
US10308614, Example 175
CID 137029382
US10308614, Example 177
CID 137029380
US10308614, Example 170
CID 137029385
US10308614, Example 165
CID 137029386
US10308614, Example 179
CID 137029383
US10308614, Example 170
CID 137029385
US10308614, Example 164
CID 137029395
US10308614, Example 172
CID 137029393

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol (CID 137045949) is 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol is CN1CCCC(Oc2cc(-c3ccccc3O)nnc2N)C1.
What is the InChIKey of 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
The InChIKey is OPSVQMZPAZYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-8-4-5-11(10-20)22-15-9-13(18-19-16(15)17)12-6-2-3-7-14(12)21/h2-3,6-7,9,11,21H,4-5,8,10H2,1H3,(H2,17,19).
What are the key properties of 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol?
2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol has a molecular weight of 300.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-methylpiperidin-3-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137045949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).