2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C25H19Cl2N5O — CID 135765772

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

2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135765772) has the molecular formula C25H19Cl2N5O and a molecular weight of 476.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135765772
• Molecular Formula: C25H19Cl2N5O
• Molecular Weight: 476.37 g/mol
• Exact Mass: 475.10
• IUPAC Name: 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2nc(-c3ccc(Cl)cc3Cl)nc2N1
• InChI: InChI=1S/C25H19Cl2N5O/c1-15-21(24(33)29-18-10-6-3-7-11-18)22(16-8-4-2-5-9-16)32-25(28-15)30-23(31-32)19-13-12-17(26)14-20(19)27/h2-14,22H,1H3,(H,29,33)(H,28,30,31)
• InChIKey: VNTSJYCAZXARNK-UHFFFAOYSA-N
• XLogP: 6.18
• 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	476.37
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135765772) is 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2nc(-c3ccc(Cl)cc3Cl)nc2N1.

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

The InChIKey is VNTSJYCAZXARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O/c1-15-21(24(33)29-18-10-6-3-7-11-18)22(16-8-4-2-5-9-16)32-25(28-15)30-23(31-32)19-13-12-17(26)14-20(19)27/h2-14,22H,1H3,(H,29,33)(H,28,30,31).

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

2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 476.37 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135765772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).