7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H27N5O — CID 135660787

About 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135660787) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135660787
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccc(C)c2)C(c2ccc(C(C)(C)C)cc2)n2ncnc2N1
• InChI: InChI=1S/C24H27N5O/c1-15-7-6-8-19(13-15)28-22(30)20-16(2)27-23-25-14-26-29(23)21(20)17-9-11-18(12-10-17)24(3,4)5/h6-14,21H,1-5H3,(H,28,30)(H,25,26,27)
• InChIKey: QFTQSQUXGVVNLR-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135660787) is 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccc(C)c2)C(c2ccc(C(C)(C)C)cc2)n2ncnc2N1.

What is the InChIKey of 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is QFTQSQUXGVVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15-7-6-8-19(13-15)28-22(30)20-16(2)27-23-25-14-26-29(23)21(20)17-9-11-18(12-10-17)24(3,4)5/h6-14,21H,1-5H3,(H,28,30)(H,25,26,27).

What are the key properties of 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).