1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone

C20H17N5O — CID 23608422

About 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone

1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone (PubChem CID 23608422) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
• PubChem CID: 23608422
• Molecular Formula: C20H17N5O
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.14
• IUPAC Name: 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
• SMILES: CC(=O)c1cccc(Nc2cc(C)nc3nc(-c4ccccc4)nn23)c1
• InChI: InChI=1S/C20H17N5O/c1-13-11-18(22-17-10-6-9-16(12-17)14(2)26)25-20(21-13)23-19(24-25)15-7-4-3-5-8-15/h3-12,22H,1-2H3
• InChIKey: FUHNCNRWDRDEQG-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone (CID 23608422) is 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone.

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

The canonical SMILES for 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cc(C)nc3nc(-c4ccccc4)nn23)c1.

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

The InChIKey is FUHNCNRWDRDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-11-18(22-17-10-6-9-16(12-17)14(2)26)25-20(21-13)23-19(24-25)15-7-4-3-5-8-15/h3-12,22H,1-2H3.

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

1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone is sourced from PubChem (CID 23608422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).