2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one

C21H32N6O — CID 126937711

About 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126937711) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
• PubChem CID: 126937711
• Molecular Formula: C21H32N6O
• Molecular Weight: 384.53 g/mol
• Exact Mass: 384.26
• IUPAC Name: 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
• SMILES: Cc1ccc(=O)n(CCN2CCCCC2CNc2ccc(C(C)(C)C)nn2)n1
• InChI: InChI=1S/C21H32N6O/c1-16-8-11-20(28)27(25-16)14-13-26-12-6-5-7-17(26)15-22-19-10-9-18(23-24-19)21(2,3)4/h8-11,17H,5-7,12-15H2,1-4H3,(H,22,24)
• InChIKey: DFERHEZOBRJXLB-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.53
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?

The IUPAC name of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126937711) is 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one.

What is the SMILES notation for 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?

The canonical SMILES for 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCCCC2CNc2ccc(C(C)(C)C)nn2)n1.

What is the InChIKey of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?

The InChIKey is DFERHEZOBRJXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-16-8-11-20(28)27(25-16)14-13-26-12-6-5-7-17(26)15-22-19-10-9-18(23-24-19)21(2,3)4/h8-11,17H,5-7,12-15H2,1-4H3,(H,22,24).

What are the key properties of 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one?

2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 384.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126937711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).