2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C20H28N6O2 — CID 126938063

About 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126938063) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• PubChem CID: 126938063
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• SMILES: Cn1ccnc(NCC2CCCCN2CCn2nc3c(cc2=O)CCC3)c1=O
• InChI: InChI=1S/C20H28N6O2/c1-24-10-8-21-19(20(24)28)22-14-16-6-2-3-9-25(16)11-12-26-18(27)13-15-5-4-7-17(15)23-26/h8,10,13,16H,2-7,9,11-12,14H2,1H3,(H,21,22)
• InChIKey: QTFXACVCVGXFDO-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The IUPAC name of 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126938063) is 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

What is the SMILES notation for 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The canonical SMILES for 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cn1ccnc(NCC2CCCCN2CCn2nc3c(cc2=O)CCC3)c1=O.

What is the InChIKey of 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The InChIKey is QTFXACVCVGXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-24-10-8-21-19(20(24)28)22-14-16-6-2-3-9-25(16)11-12-26-18(27)13-15-5-4-7-17(15)23-26/h8,10,13,16H,2-7,9,11-12,14H2,1H3,(H,21,22).

What are the key properties of 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 384.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126938063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).