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

C16H22N8O3 — CID 122254876

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

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122254876) has the molecular formula C16H22N8O3 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
• PubChem CID: 122254876
• Molecular Formula: C16H22N8O3
• Molecular Weight: 374.41 g/mol
• Exact Mass: 374.18
• IUPAC Name: N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
• SMILES: CN(C)c1nc(CNC(=O)Cn2ncccc2=O)nc(N2CCOCC2)n1
• InChI: InChI=1S/C16H22N8O3/c1-22(2)15-19-12(20-16(21-15)23-6-8-27-9-7-23)10-17-13(25)11-24-14(26)4-3-5-18-24/h3-5H,6-11H2,1-2H3,(H,17,25)
• InChIKey: WYDJTCCFAASHIU-UHFFFAOYSA-N
• XLogP: -1.35
• TPSA: 118.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.41
LogP ≤ 5	-1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122254876) is N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide.

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

The canonical SMILES for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide is CN(C)c1nc(CNC(=O)Cn2ncccc2=O)nc(N2CCOCC2)n1.

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

The InChIKey is WYDJTCCFAASHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O3/c1-22(2)15-19-12(20-16(21-15)23-6-8-27-9-7-23)10-17-13(25)11-24-14(26)4-3-5-18-24/h3-5H,6-11H2,1-2H3,(H,17,25).

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

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 374.41 g/mol, XLogP of -1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122254876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).