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

C20H24N6O — CID 55745305

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

7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 55745305) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 55745305
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cccc(CN2CCC(NC(=O)c3nc4nccc(C)n4n3)CC2)c1
• InChI: InChI=1S/C20H24N6O/c1-14-4-3-5-16(12-14)13-25-10-7-17(8-11-25)22-19(27)18-23-20-21-9-6-15(2)26(20)24-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,22,27)
• InChIKey: QLHFHVLZNQUSTN-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 55745305) is 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(CN2CCC(NC(=O)c3nc4nccc(C)n4n3)CC2)c1.

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

The InChIKey is QLHFHVLZNQUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-4-3-5-16(12-14)13-25-10-7-17(8-11-25)22-19(27)18-23-20-21-9-6-15(2)26(20)24-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,22,27).

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

7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 55745305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).