2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C21H32N4O2 — CID 126936168

About 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936168) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
• PubChem CID: 126936168
• Molecular Formula: C21H32N4O2
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.25
• IUPAC Name: 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
• SMILES: CN1C2CCC1CC(NC1CCC(n3nc4c(cc3=O)COCC4)CC1)C2
• InChI: InChI=1S/C21H32N4O2/c1-24-18-6-7-19(24)12-16(11-18)22-15-2-4-17(5-3-15)25-21(26)10-14-13-27-9-8-20(14)23-25/h10,15-19,22H,2-9,11-13H2,1H3
• InChIKey: VAFHXENMJRHLHT-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The IUPAC name of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936168) is 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

What is the SMILES notation for 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The canonical SMILES for 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is CN1C2CCC1CC(NC1CCC(n3nc4c(cc3=O)COCC4)CC1)C2.

What is the InChIKey of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The InChIKey is VAFHXENMJRHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-24-18-6-7-19(24)12-16(11-18)22-15-2-4-17(5-3-15)25-21(26)10-14-13-27-9-8-20(14)23-25/h10,15-19,22H,2-9,11-13H2,1H3.

What are the key properties of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).