5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one

C19H23N7O — CID 126911027

About 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one

5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one (PubChem CID 126911027) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
• PubChem CID: 126911027
• Molecular Formula: C19H23N7O
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.20
• IUPAC Name: 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
• SMILES: Cn1cncc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1=O
• InChI: InChI=1S/C19H23N7O/c1-24-12-20-10-15(19(24)27)11-25-8-6-14(7-9-25)18-22-21-17-5-4-16(13-2-3-13)23-26(17)18/h4-5,10,12-14H,2-3,6-9,11H2,1H3
• InChIKey: IQKUVHKATFMGLM-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 81.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one?

The IUPAC name of 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one (CID 126911027) is 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one.

What is the SMILES notation for 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one?

The canonical SMILES for 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one is Cn1cncc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1=O.

What is the InChIKey of 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one?

The InChIKey is IQKUVHKATFMGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-12-20-10-15(19(24)27)11-25-8-6-14(7-9-25)18-22-21-17-5-4-16(13-2-3-13)23-26(17)18/h4-5,10,12-14H,2-3,6-9,11H2,1H3.

What are the key properties of 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one?

5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one has a molecular weight of 365.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 126911027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).