4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H24N8O — CID 126911734

About 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 126911734) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 126911734
• Molecular Formula: C19H24N8O
• Molecular Weight: 380.46 g/mol
• Exact Mass: 380.21
• IUPAC Name: 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccc2nnc(C3CCN(c4ncnc5c4CN(C)CC5)CC3)n2n1
• InChI: InChI=1S/C19H24N8O/c1-25-8-7-15-14(11-25)19(21-12-20-15)26-9-5-13(6-10-26)18-23-22-16-3-4-17(28-2)24-27(16)18/h3-4,12-13H,5-11H2,1-2H3
• InChIKey: ZPZTTXOZGCLGBN-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 84.57 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.46
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 126911734) is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc2nnc(C3CCN(c4ncnc5c4CN(C)CC5)CC3)n2n1.

What is the InChIKey of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is ZPZTTXOZGCLGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-25-8-7-15-14(11-25)19(21-12-20-15)26-9-5-13(6-10-26)18-23-22-16-3-4-17(28-2)24-27(16)18/h3-4,12-13H,5-11H2,1-2H3.

What are the key properties of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 380.46 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 126911734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).