2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide

C₇H₁₁Cl₂N₅O₂S — CID 106341596

About 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106341596) has the molecular formula C₇H₁₁Cl₂N₅O₂S and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

• Compound Name: 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
• PubChem CID: 106341596
• Molecular Formula: C₇H₁₁Cl₂N₅O₂S
• Molecular Weight: 300.17 g/mol
• Exact Mass: 299.00
• IUPAC Name: 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
• SMILES: CCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl
• InChI: InChI=1S/C7H11Cl2N5O2S/c1-2-11-17(15,16)4-3-10-6-5(8)13-14-7(9)12-6/h11H,2-4H2,1H3,(H,10,12,14)
• InChIKey: UEIWQYYGXGFWPZ-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.17
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?

The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide (CID 106341596) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide.

What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?

The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl.

What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?

The InChIKey is UEIWQYYGXGFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2N5O2S/c1-2-11-17(15,16)4-3-10-6-5(8)13-14-7(9)12-6/h11H,2-4H2,1H3,(H,10,12,14).

What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 300.17 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106341596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106341596 — identifiers, structure, computed properties (public domain)

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