5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide

C19H19F6N7OS — CID 129044251

About 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide

5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide (PubChem CID 129044251) has the molecular formula C19H19F6N7OS and a molecular weight of 507.46 g/mol. Its IUPAC name is 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide.

Molecular Properties

• Compound Name: 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide
• PubChem CID: 129044251
• Molecular Formula: C19H19F6N7OS
• Molecular Weight: 507.46 g/mol
• Exact Mass: 507.13
• IUPAC Name: 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide
• SMILES: Cc1cc(Nc2n[nH]c(N)n2)cc(C(F)(F)F)c1-c1ccc(S(=O)NC(C)(C)C(F)(F)F)nc1
• InChI: InChI=1S/C19H19F6N7OS/c1-9-6-11(28-16-29-15(26)30-31-16)7-12(18(20,21)22)14(9)10-4-5-13(27-8-10)34(33)32-17(2,3)19(23,24)25/h4-8,32H,1-3H3,(H4,26,28,29,30,31)
• InChIKey: JCMDSGQIOXYXLV-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 121.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide?

The IUPAC name of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide (CID 129044251) is 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide.

What is the SMILES notation for 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide?

The canonical SMILES for 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide is Cc1cc(Nc2n[nH]c(N)n2)cc(C(F)(F)F)c1-c1ccc(S(=O)NC(C)(C)C(F)(F)F)nc1.

What is the InChIKey of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide?

The InChIKey is JCMDSGQIOXYXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N7OS/c1-9-6-11(28-16-29-15(26)30-31-16)7-12(18(20,21)22)14(9)10-4-5-13(27-8-10)34(33)32-17(2,3)19(23,24)25/h4-8,32H,1-3H3,(H4,26,28,29,30,31).

What are the key properties of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide?

5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide has a molecular weight of 507.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfinamide is sourced from PubChem (CID 129044251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).