3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one

C15H22N6O — CID 56815508

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

3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 56815508) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
• PubChem CID: 56815508
• Molecular Formula: C15H22N6O
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.19
• IUPAC Name: 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
• SMILES: CCc1cc(NCCC(=O)N2CCCCC2)n2ncnc2n1
• InChI: InChI=1S/C15H22N6O/c1-2-12-10-13(21-15(19-12)17-11-18-21)16-7-6-14(22)20-8-4-3-5-9-20/h10-11,16H,2-9H2,1H3
• InChIKey: QCNKBZJFBVLQKC-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 56815508) is 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one.

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

The canonical SMILES for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one is CCc1cc(NCCC(=O)N2CCCCC2)n2ncnc2n1.

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

The InChIKey is QCNKBZJFBVLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-12-10-13(21-15(19-12)17-11-18-21)16-7-6-14(22)20-8-4-3-5-9-20/h10-11,16H,2-9H2,1H3.

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

3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 302.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 56815508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).