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

C27H25N5O — CID 135823227

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

5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135823227) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135823227
• Molecular Formula: C27H25N5O
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.21
• IUPAC Name: 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2cccc(C)c2)n2nc(-c3ccccc3C)nc2N1
• InChI: InChI=1S/C27H25N5O/c1-17-10-9-12-20(16-17)24-23(26(33)29-21-13-5-4-6-14-21)19(3)28-27-30-25(31-32(24)27)22-15-8-7-11-18(22)2/h4-16,24H,1-3H3,(H,29,33)(H,28,30,31)
• InChIKey: WXAJTVOGYMFGGA-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135823227) is 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccc(C)c2)n2nc(-c3ccccc3C)nc2N1.

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

The InChIKey is WXAJTVOGYMFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-17-10-9-12-20(16-17)24-23(26(33)29-21-13-5-4-6-14-21)19(3)28-27-30-25(31-32(24)27)22-15-8-7-11-18(22)2/h4-16,24H,1-3H3,(H,29,33)(H,28,30,31).

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

5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-(2-methylphenyl)-7-(3-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135823227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).