5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H21N9 — CID 126893828

About 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126893828) has the molecular formula C17H21N9 and a molecular weight of 351.42 g/mol. Its IUPAC name is 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 126893828
• Molecular Formula: C17H21N9
• Molecular Weight: 351.42 g/mol
• Exact Mass: 351.19
• IUPAC Name: 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Cc1cc(N2CC(N3CCN(c4ncccn4)CC3)C2)n2ncnc2n1
• InChI: InChI=1S/C17H21N9/c1-13-9-15(26-17(22-13)20-12-21-26)25-10-14(11-25)23-5-7-24(8-6-23)16-18-3-2-4-19-16/h2-4,9,12,14H,5-8,10-11H2,1H3
• InChIKey: PPMKOFRTDIGKAM-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 78.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.42
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126893828) is 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

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

The canonical SMILES for 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CC(N3CCN(c4ncccn4)CC3)C2)n2ncnc2n1.

What is the InChIKey of 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is PPMKOFRTDIGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9/c1-13-9-15(26-17(22-13)20-12-21-26)25-10-14(11-25)23-5-7-24(8-6-23)16-18-3-2-4-19-16/h2-4,9,12,14H,5-8,10-11H2,1H3.

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

5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 351.42 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126893828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).