2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C28H26FN5O2 — CID 151406675

About 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 151406675) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
• PubChem CID: 151406675
• Molecular Formula: C28H26FN5O2
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.21
• IUPAC Name: 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
• SMILES: COc1ccc(CNc2nc(-c3cccc(F)c3)c(C)n3nc(Cc4ccccc4)nc23)c(OC)c1
• InChI: InChI=1S/C28H26FN5O2/c1-18-26(20-10-7-11-22(29)15-20)32-27(30-17-21-12-13-23(35-2)16-24(21)36-3)28-31-25(33-34(18)28)14-19-8-5-4-6-9-19/h4-13,15-16H,14,17H2,1-3H3,(H,30,32)
• InChIKey: OXQLUZGUBAUYRV-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 73.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The IUPAC name of 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 151406675) is 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is COc1ccc(CNc2nc(-c3cccc(F)c3)c(C)n3nc(Cc4ccccc4)nc23)c(OC)c1.

What is the InChIKey of 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The InChIKey is OXQLUZGUBAUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-18-26(20-10-7-11-22(29)15-20)32-27(30-17-21-12-13-23(35-2)16-24(21)36-3)28-31-25(33-34(18)28)14-19-8-5-4-6-9-19/h4-13,15-16H,14,17H2,1-3H3,(H,30,32).

What are the key properties of 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 483.55 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-6-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 151406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).