6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one

C21H27N5O3 — CID 136607616

About 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one

6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 136607616) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one
• PubChem CID: 136607616
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one
• SMILES: CN(c1ccc(-c2cc3[nH]c(=O)oc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C21H27N5O3/c1-20(2)10-12(11-21(3,4)25-20)26(5)18-7-6-14(23-24-18)13-8-15-17(9-16(13)27)29-19(28)22-15/h6-9,12,25,27H,10-11H2,1-5H3,(H,22,28)
• InChIKey: PZAULVNPXUILPE-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 107.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one?

The IUPAC name of 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one (CID 136607616) is 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one.

What is the SMILES notation for 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one?

The canonical SMILES for 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one is CN(c1ccc(-c2cc3[nH]c(=O)oc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one?

The InChIKey is PZAULVNPXUILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-20(2)10-12(11-21(3,4)25-20)26(5)18-7-6-14(23-24-18)13-8-15-17(9-16(13)27)29-19(28)22-15/h6-9,12,25,27H,10-11H2,1-5H3,(H,22,28).

What are the key properties of 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one?

6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 397.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-5-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 136607616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).