3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide

C20H24N6O3 — CID 131933032

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide (PubChem CID 131933032) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 131933032
• Molecular Formula: C20H24N6O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.19
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NC1CCCN(C(=O)c2ccco2)C1
• InChI: InChI=1S/C20H24N6O3/c1-13-16(14(2)26-20(23-13)21-12-22-26)7-8-18(27)24-15-5-3-9-25(11-15)19(28)17-6-4-10-29-17/h4,6,10,12,15H,3,5,7-9,11H2,1-2H3,(H,24,27)
• InChIKey: TZQPVNGMUFDXQF-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 105.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide (CID 131933032) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NC1CCCN(C(=O)c2ccco2)C1.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is TZQPVNGMUFDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13-16(14(2)26-20(23-13)21-12-22-26)7-8-18(27)24-15-5-3-9-25(11-15)19(28)17-6-4-10-29-17/h4,6,10,12,15H,3,5,7-9,11H2,1-2H3,(H,24,27).

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 396.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 131933032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).