N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

C21H21N5O — CID 135970512

About N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 135970512) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
• PubChem CID: 135970512
• Molecular Formula: C21H21N5O
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.17
• IUPAC Name: N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2n(n1)C(c1ccc(C)cc1)C=C(c1ccc(C)cc1)N2
• InChI: InChI=1S/C21H21N5O/c1-13-4-8-16(9-5-13)18-12-19(17-10-6-14(2)7-11-17)26-21(23-18)24-20(25-26)22-15(3)27/h4-12,19H,1-3H3,(H2,22,23,24,25,27)
• InChIKey: RCQQFGSELSOSGT-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The IUPAC name of N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 135970512) is N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

What is the SMILES notation for N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The canonical SMILES for N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2n(n1)C(c1ccc(C)cc1)C=C(c1ccc(C)cc1)N2.

What is the InChIKey of N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The InChIKey is RCQQFGSELSOSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-4-8-16(9-5-13)18-12-19(17-10-6-14(2)7-11-17)26-21(23-18)24-20(25-26)22-15(3)27/h4-12,19H,1-3H3,(H2,22,23,24,25,27).

What are the key properties of N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135970512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).