3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C17H24N6O3S — CID 110613833

About 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 110613833) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
• PubChem CID: 110613833
• Molecular Formula: C17H24N6O3S
• Molecular Weight: 392.49 g/mol
• Exact Mass: 392.16
• IUPAC Name: 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
• SMILES: Cc1nnc2sc(CCC(=O)N3CCC(C(=O)N4CCOCC4)CC3)nn12
• InChI: InChI=1S/C17H24N6O3S/c1-12-18-19-17-23(12)20-14(27-17)2-3-15(24)21-6-4-13(5-7-21)16(25)22-8-10-26-11-9-22/h13H,2-11H2,1H3
• InChIKey: KUXDDURUAFGCRZ-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 92.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.49
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 110613833) is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is Cc1nnc2sc(CCC(=O)N3CCC(C(=O)N4CCOCC4)CC3)nn12.

What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

The InChIKey is KUXDDURUAFGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-12-18-19-17-23(12)20-14(27-17)2-3-15(24)21-6-4-13(5-7-21)16(25)22-8-10-26-11-9-22/h13H,2-11H2,1H3.

What are the key properties of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 392.49 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110613833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).