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

C16H20N4O2 — CID 137029393

IUPAC2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCN1CCC(Oc2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H20N4O2/c1-20-8-6-11(7-9-20)22-15-10-13(18-19-16(15)17)12-4-2-3-5-14(12)21/h2-5,10-11,21H,6-9H2,1H3,(H2,17,19)
InChIKeyMWHDPPUPTJDPDF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.90
Rot. Bonds3

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

2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol (PubChem CID 137029393) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol
PubChem CID137029393
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCN1CCC(Oc2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C16H20N4O2/c1-20-8-6-11(7-9-20)22-15-10-13(18-19-16(15)17)12-4-2-3-5-14(12)21/h2-5,10-11,21H,6-9H2,1H3,(H2,17,19)
InChIKeyMWHDPPUPTJDPDF-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-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol (CID 137029393) is 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol is CN1CCC(Oc2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The InChIKey is MWHDPPUPTJDPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-8-6-11(7-9-20)22-15-10-13(18-19-16(15)17)12-4-2-3-5-14(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)oxypyridazin-3-yl]phenol?
2-[6-amino-5-(1-methylpiperidin-4-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-4-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137029393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).