2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole

C9H7ClN6OS — CID 103077092

About 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 103077092) has the molecular formula C9H7ClN6OS and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole
• PubChem CID: 103077092
• Molecular Formula: C9H7ClN6OS
• Molecular Weight: 282.72 g/mol
• Exact Mass: 282.01
• IUPAC Name: 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole
• SMILES: Cc1nnc(Sc2c(C)c(Cl)nc3ncnn23)o1
• InChI: InChI=1S/C9H7ClN6OS/c1-4-6(10)13-8-11-3-12-16(8)7(4)18-9-15-14-5(2)17-9/h3H,1-2H3
• InChIKey: RAQTXALOUSONRC-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 82.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.72
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole?

The IUPAC name of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole (CID 103077092) is 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Sc2c(C)c(Cl)nc3ncnn23)o1.

What is the InChIKey of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole?

The InChIKey is RAQTXALOUSONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6OS/c1-4-6(10)13-8-11-3-12-16(8)7(4)18-9-15-14-5(2)17-9/h3H,1-2H3.

What are the key properties of 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole?

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 282.72 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 103077092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).