2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide

C21H21N7O — CID 133287658

About 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide

2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide (PubChem CID 133287658) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide.

Molecular Properties

• Compound Name: 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide
• PubChem CID: 133287658
• Molecular Formula: C21H21N7O
• Molecular Weight: 387.45 g/mol
• Exact Mass: 387.18
• IUPAC Name: 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide
• SMILES: Cc1cc(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)n2ncnc2n1
• InChI: InChI=1S/C21H21N7O/c1-15-10-20(28-21(25-15)23-14-24-28)26-17-8-5-9-18(11-17)27(13-19(22)29)12-16-6-3-2-4-7-16/h2-11,14,26H,12-13H2,1H3,(H2,22,29)
• InChIKey: OTVBBJAGLLJDAL-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 101.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.45
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide?

The IUPAC name of 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide (CID 133287658) is 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide.

What is the SMILES notation for 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide?

The canonical SMILES for 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide is Cc1cc(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)n2ncnc2n1.

What is the InChIKey of 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide?

The InChIKey is OTVBBJAGLLJDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-15-10-20(28-21(25-15)23-14-24-28)26-17-8-5-9-18(11-17)27(13-19(22)29)12-16-6-3-2-4-7-16/h2-11,14,26H,12-13H2,1H3,(H2,22,29).

What are the key properties of 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide?

2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide has a molecular weight of 387.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide is sourced from PubChem (CID 133287658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).