6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one

C18H23N7O — CID 126910207

About 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one

6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 126910207) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one
• PubChem CID: 126910207
• Molecular Formula: C18H23N7O
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.20
• IUPAC Name: 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one
• SMILES: Cc1cc(=O)n(CCN2CCC(c3nnc4ccc(C)nn34)CC2)cn1
• InChI: InChI=1S/C18H23N7O/c1-13-3-4-16-20-21-18(25(16)22-13)15-5-7-23(8-6-15)9-10-24-12-19-14(2)11-17(24)26/h3-4,11-12,15H,5-10H2,1-2H3
• InChIKey: QNQOPFCCQJBFCU-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 81.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one?

The IUPAC name of 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one (CID 126910207) is 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one.

What is the SMILES notation for 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one?

The canonical SMILES for 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCN2CCC(c3nnc4ccc(C)nn34)CC2)cn1.

What is the InChIKey of 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one?

The InChIKey is QNQOPFCCQJBFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13-3-4-16-20-21-18(25(16)22-13)15-5-7-23(8-6-15)9-10-24-12-19-14(2)11-17(24)26/h3-4,11-12,15H,5-10H2,1-2H3.

What are the key properties of 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one?

6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 126910207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).