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

C25H20BrN5O — CID 4196175

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

7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4196175) has the molecular formula C25H20BrN5O and a molecular weight of 486.37 g/mol. Its IUPAC name is 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 4196175
• Molecular Formula: C25H20BrN5O
• Molecular Weight: 486.37 g/mol
• Exact Mass: 485.09
• IUPAC Name: 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2cccc(Br)c2)n2nc(-c3ccccc3)nc2N1
• InChI: InChI=1S/C25H20BrN5O/c1-16-21(24(32)28-20-13-6-3-7-14-20)22(18-11-8-12-19(26)15-18)31-25(27-16)29-23(30-31)17-9-4-2-5-10-17/h2-15,22H,1H3,(H,28,32)(H,27,29,30)
• InChIKey: IFVPYXXNRNBGFM-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.37
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 4196175) is 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccc(Br)c2)n2nc(-c3ccccc3)nc2N1.

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

The InChIKey is IFVPYXXNRNBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN5O/c1-16-21(24(32)28-20-13-6-3-7-14-20)22(18-11-8-12-19(26)15-18)31-25(27-16)29-23(30-31)17-9-4-2-5-10-17/h2-15,22H,1H3,(H,28,32)(H,27,29,30).

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

7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-bromophenyl)-5-methyl-N,2-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4196175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).