N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide

C16H21N7O3 — CID 122253596

About N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122253596) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
• PubChem CID: 122253596
• Molecular Formula: C16H21N7O3
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.17
• IUPAC Name: N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
• SMILES: COc1nc(CNC(=O)Cn2ncccc2=O)nc(N2CCCCC2)n1
• InChI: InChI=1S/C16H21N7O3/c1-26-16-20-12(19-15(21-16)22-8-3-2-4-9-22)10-17-13(24)11-23-14(25)6-5-7-18-23/h5-7H,2-4,8-11H2,1H3,(H,17,24)
• InChIKey: WMPZHJMRDIHASN-UHFFFAOYSA-N
• XLogP: -0.26
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?

The IUPAC name of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122253596) is N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide.

What is the SMILES notation for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?

The canonical SMILES for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide is COc1nc(CNC(=O)Cn2ncccc2=O)nc(N2CCCCC2)n1.

What is the InChIKey of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?

The InChIKey is WMPZHJMRDIHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-26-16-20-12(19-15(21-16)22-8-3-2-4-9-22)10-17-13(24)11-23-14(25)6-5-7-18-23/h5-7H,2-4,8-11H2,1H3,(H,17,24).

What are the key properties of N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?

N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122253596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).