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

C23H24BrN5O2 — CID 135662640

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

7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135662640) has the molecular formula C23H24BrN5O2 and a molecular weight of 482.38 g/mol. Its IUPAC name is 7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135662640
• Molecular Formula: C23H24BrN5O2
• Molecular Weight: 482.38 g/mol
• Exact Mass: 481.11
• IUPAC Name: 7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCCOc1ccc(Br)cc1C1C(C(=O)Nc2cccc(C)c2)=C(C)Nc2ncnn21
• InChI: InChI=1S/C23H24BrN5O2/c1-4-10-31-19-9-8-16(24)12-18(19)21-20(15(3)27-23-25-13-26-29(21)23)22(30)28-17-7-5-6-14(2)11-17/h5-9,11-13,21H,4,10H2,1-3H3,(H,28,30)(H,25,26,27)
• InChIKey: IVCDHXZCMNEJIM-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.38
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135662640) is 7-(5-bromo-2-propoxyphenyl)-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-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCCOc1ccc(Br)cc1C1C(C(=O)Nc2cccc(C)c2)=C(C)Nc2ncnn21.

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

The InChIKey is IVCDHXZCMNEJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O2/c1-4-10-31-19-9-8-16(24)12-18(19)21-20(15(3)27-23-25-13-26-29(21)23)22(30)28-17-7-5-6-14(2)11-17/h5-9,11-13,21H,4,10H2,1-3H3,(H,28,30)(H,25,26,27).

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

7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-bromo-2-propoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135662640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).