5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C20H28N4O2 — CID 136626064

IUPAC5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1ccc(-c2ccc(NC3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1
InChIInChI=1S/C20H28N4O2/c1-19(2)11-13(12-20(3,4)24-19)21-18-9-8-16(22-23-18)15-7-6-14(26-5)10-17(15)25/h6-10,13,24-25H,11-12H2,1-5H3,(H,21,23)
InChIKeyPNNZFSZVBPXPNT-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.58
Rot. Bonds4

About 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136626064) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136626064
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1ccc(-c2ccc(NC3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1
InChIInChI=1S/C20H28N4O2/c1-19(2)11-13(12-20(3,4)24-19)21-18-9-8-16(22-23-18)15-7-6-14(26-5)10-17(15)25/h6-10,13,24-25H,11-12H2,1-5H3,(H,21,23)
InChIKeyPNNZFSZVBPXPNT-UHFFFAOYSA-N
XLogP3.58
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136626064) is 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is COc1ccc(-c2ccc(NC3CC(C)(C)NC(C)(C)C3)nn2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is PNNZFSZVBPXPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-19(2)11-13(12-20(3,4)24-19)21-18-9-8-16(22-23-18)15-7-6-14(26-5)10-17(15)25/h6-10,13,24-25H,11-12H2,1-5H3,(H,21,23).
What are the key properties of 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 356.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136626064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).