(2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide

C10H16N6O2S — CID 97252623

About (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide

(2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide (PubChem CID 97252623) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide.

Molecular Properties

• Compound Name: (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide
• PubChem CID: 97252623
• Molecular Formula: C10H16N6O2S
• Molecular Weight: 284.35 g/mol
• Exact Mass: 284.11
• IUPAC Name: (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide
• SMILES: CCc1cc(NC[C@H](C)S(N)(=O)=O)n2ncnc2n1
• InChI: InChI=1S/C10H16N6O2S/c1-3-8-4-9(12-5-7(2)19(11,17)18)16-10(15-8)13-6-14-16/h4,6-7,12H,3,5H2,1-2H3,(H2,11,17,18)/t7-/m0/s1
• InChIKey: OGZQEEPJIOGTBC-ZETCQYMHSA-N
• XLogP: -0.22
• TPSA: 115.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.35
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide?

The IUPAC name of (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide (CID 97252623) is (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide.

What is the SMILES notation for (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide?

The canonical SMILES for (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide is CCc1cc(NC[C@H](C)S(N)(=O)=O)n2ncnc2n1.

What is the InChIKey of (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide?

The InChIKey is OGZQEEPJIOGTBC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-3-8-4-9(12-5-7(2)19(11,17)18)16-10(15-8)13-6-14-16/h4,6-7,12H,3,5H2,1-2H3,(H2,11,17,18)/t7-/m0/s1.

What are the key properties of (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide?

(2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide has a molecular weight of 284.35 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-2-sulfonamide is sourced from PubChem (CID 97252623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).