7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H25N5O — CID 159913084

About 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 159913084) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 159913084
• Molecular Formula: C20H25N5O
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.21
• IUPAC Name: 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: COc1cc(C)ccc1CN1CCCC(c2cc(C)nc3ncnn23)C1
• InChI: InChI=1S/C20H25N5O/c1-14-6-7-17(19(9-14)26-3)12-24-8-4-5-16(11-24)18-10-15(2)23-20-21-13-22-25(18)20/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
• InChIKey: NXKSNBUAGFHHAR-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 55.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 159913084) is 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

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

The canonical SMILES for 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(C)ccc1CN1CCCC(c2cc(C)nc3ncnn23)C1.

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

The InChIKey is NXKSNBUAGFHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-6-7-17(19(9-14)26-3)12-24-8-4-5-16(11-24)18-10-15(2)23-20-21-13-22-25(18)20/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3.

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

7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 351.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159913084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).