N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

C12H16N6O2S — CID 46482446

About N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 46482446) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 46482446
• Molecular Formula: C12H16N6O2S
• Molecular Weight: 308.37 g/mol
• Exact Mass: 308.11
• IUPAC Name: N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: CNC(=O)NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1
• InChI: InChI=1S/C12H16N6O2S/c1-6-7(2)14-10-16-12(17-18(10)8(6)3)21-5-9(19)15-11(20)13-4/h5H2,1-4H3,(H2,13,15,19,20)
• InChIKey: IOIUJCXXVPIAEU-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 101.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.37
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (CID 46482446) is N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is CNC(=O)NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1.

What is the InChIKey of N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is IOIUJCXXVPIAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-6-7(2)14-10-16-12(17-18(10)8(6)3)21-5-9(19)15-11(20)13-4/h5H2,1-4H3,(H2,13,15,19,20).

What are the key properties of N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 308.37 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46482446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).