3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C15H19N7O3 — CID 119061335

About 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 119061335) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• PubChem CID: 119061335
• Molecular Formula: C15H19N7O3
• Molecular Weight: 345.36 g/mol
• Exact Mass: 345.15
• IUPAC Name: 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc(N2CCN(C(=O)CN3CCOC3=O)CC2)n2ncnc2n1
• InChI: InChI=1S/C15H19N7O3/c1-11-8-12(22-14(18-11)16-10-17-22)19-2-4-20(5-3-19)13(23)9-21-6-7-25-15(21)24/h8,10H,2-7,9H2,1H3
• InChIKey: LQUDPBABSJKGMK-UHFFFAOYSA-N
• XLogP: -0.47
• TPSA: 96.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.36
LogP ≤ 5	-0.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 119061335) is 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1cc(N2CCN(C(=O)CN3CCOC3=O)CC2)n2ncnc2n1.

What is the InChIKey of 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The InChIKey is LQUDPBABSJKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-11-8-12(22-14(18-11)16-10-17-22)19-2-4-20(5-3-19)13(23)9-21-6-7-25-15(21)24/h8,10H,2-7,9H2,1H3.

What are the key properties of 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 345.36 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 119061335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).