6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C16H19N7O3 — CID 126911586

About 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126911586) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 126911586
• Molecular Formula: C16H19N7O3
• Molecular Weight: 357.37 g/mol
• Exact Mass: 357.15
• IUPAC Name: 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
• SMILES: COc1ccc2nnc(C3CCN(c4cc(=O)n(C)c(=O)[nH]4)CC3)n2n1
• InChI: InChI=1S/C16H19N7O3/c1-21-14(24)9-12(17-16(21)25)22-7-5-10(6-8-22)15-19-18-11-3-4-13(26-2)20-23(11)15/h3-4,9-10H,5-8H2,1-2H3,(H,17,25)
• InChIKey: WQNGGOYMWFZAOM-UHFFFAOYSA-N
• XLogP: -0.10
• TPSA: 110.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.37
LogP ≤ 5	-0.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126911586) is 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is COc1ccc2nnc(C3CCN(c4cc(=O)n(C)c(=O)[nH]4)CC3)n2n1.

What is the InChIKey of 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is WQNGGOYMWFZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-21-14(24)9-12(17-16(21)25)22-7-5-10(6-8-22)15-19-18-11-3-4-13(26-2)20-23(11)15/h3-4,9-10H,5-8H2,1-2H3,(H,17,25).

What are the key properties of 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 357.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126911586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).