N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide

C22H24F3N7O3S — CID 135283260

About N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide

N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide (PubChem CID 135283260) has the molecular formula C22H24F3N7O3S and a molecular weight of 523.54 g/mol. Its IUPAC name is N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide.

Molecular Properties

• Compound Name: N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide
• PubChem CID: 135283260
• Molecular Formula: C22H24F3N7O3S
• Molecular Weight: 523.54 g/mol
• Exact Mass: 523.16
• IUPAC Name: N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide
• SMILES: CCS(=O)(=O)c1cc(N(C)N(C)C(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C
• InChI: InChI=1S/C22H24F3N7O3S/c1-5-36(34,35)17-11-15(31(3)32(4)21(33)13-6-7-13)12-27-18(17)20-29-28-19(30(20)2)16-10-14(8-9-26-16)22(23,24)25/h8-13H,5-7H2,1-4H3
• InChIKey: OVPQTJSDGWSDRH-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 114.18 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.54
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide?

The IUPAC name of N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide (CID 135283260) is N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide.

What is the SMILES notation for N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide?

The canonical SMILES for N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide is CCS(=O)(=O)c1cc(N(C)N(C)C(=O)C2CC2)cnc1-c1nnc(-c2cc(C(F)(F)F)ccn2)n1C.

What is the InChIKey of N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide?

The InChIKey is OVPQTJSDGWSDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O3S/c1-5-36(34,35)17-11-15(31(3)32(4)21(33)13-6-7-13)12-27-18(17)20-29-28-19(30(20)2)16-10-14(8-9-26-16)22(23,24)25/h8-13H,5-7H2,1-4H3.

What are the key properties of N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide?

N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide has a molecular weight of 523.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]-N,N'-dimethylcyclopropanecarbohydrazide is sourced from PubChem (CID 135283260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).