(5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C17H15F5N4O2S — CID 99782938

About (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

(5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 99782938) has the molecular formula C17H15F5N4O2S and a molecular weight of 434.39 g/mol. Its IUPAC name is (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• PubChem CID: 99782938
• Molecular Formula: C17H15F5N4O2S
• Molecular Weight: 434.39 g/mol
• Exact Mass: 434.08
• IUPAC Name: (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• SMILES: C[C@H]1N=C(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)NN(c2ccccc2)C1=O
• InChI: InChI=1S/C17H15F5N4O2S/c1-11-17(28)26(13-5-3-2-4-6-13)25-15(23-11)16(27)24-12-7-9-14(10-8-12)29(18,19,20,21)22/h2-11H,1H3,(H,23,25)(H,24,27)/t11-/m1/s1
• InChIKey: NCXSDPKATCGQOM-LLVKDONJSA-N
• XLogP: 4.62
• TPSA: 73.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.39
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The IUPAC name of (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 99782938) is (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

What is the SMILES notation for (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The canonical SMILES for (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is C[C@H]1N=C(C(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)NN(c2ccccc2)C1=O.

What is the InChIKey of (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The InChIKey is NCXSDPKATCGQOM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F5N4O2S/c1-11-17(28)26(13-5-3-2-4-6-13)25-15(23-11)16(27)24-12-7-9-14(10-8-12)29(18,19,20,21)22/h2-11H,1H3,(H,23,25)(H,24,27)/t11-/m1/s1.

What are the key properties of (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

(5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 434.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-methyl-6-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 99782938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).