3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one

C15H22N6O2 — CID 133377499

About 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 133377499) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one
• PubChem CID: 133377499
• Molecular Formula: C15H22N6O2
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.18
• IUPAC Name: 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one
• SMILES: COCCC(=O)N1CCC(Nc2cc(C)nc3ncnn23)CC1
• InChI: InChI=1S/C15H22N6O2/c1-11-9-13(21-15(18-11)16-10-17-21)19-12-3-6-20(7-4-12)14(22)5-8-23-2/h9-10,12,19H,3-8H2,1-2H3
• InChIKey: TZOVJVJTCSHUSS-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one (CID 133377499) is 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(Nc2cc(C)nc3ncnn23)CC1.

What is the InChIKey of 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one?

The InChIKey is TZOVJVJTCSHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-9-13(21-15(18-11)16-10-17-21)19-12-3-6-20(7-4-12)14(22)5-8-23-2/h9-10,12,19H,3-8H2,1-2H3.

What are the key properties of 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one?

3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 318.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 133377499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).