(2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide

C18H14F3N7O2 — CID 89354169

About (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide

(2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide (PubChem CID 89354169) has the molecular formula C18H14F3N7O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide.

Molecular Properties

• Compound Name: (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide
• PubChem CID: 89354169
• Molecular Formula: C18H14F3N7O2
• Molecular Weight: 417.35 g/mol
• Exact Mass: 417.12
• IUPAC Name: (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide
• SMILES: C=C/C=C(\ON)C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1
• InChI: InChI=1S/C18H14F3N7O2/c1-2-4-13(30-22)17(29)24-15-6-7-16(26-25-15)28-14(18(19,20)21)9-12(27-28)11-5-3-8-23-10-11/h2-10H,1,22H2,(H,24,25,29)/b13-4-
• InChIKey: GYXNRXJDFJMLQD-PQMHYQBVSA-N
• XLogP: 2.64
• TPSA: 120.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.35
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide?

The IUPAC name of (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide (CID 89354169) is (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide.

What is the SMILES notation for (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide?

The canonical SMILES for (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide is C=C/C=C(\ON)C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.

What is the InChIKey of (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide?

The InChIKey is GYXNRXJDFJMLQD-PQMHYQBVSA-N. The full InChI is InChI=1S/C18H14F3N7O2/c1-2-4-13(30-22)17(29)24-15-6-7-16(26-25-15)28-14(18(19,20)21)9-12(27-28)11-5-3-8-23-10-11/h2-10H,1,22H2,(H,24,25,29)/b13-4-.

What are the key properties of (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide?

(2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide has a molecular weight of 417.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-aminooxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]penta-2,4-dienamide is sourced from PubChem (CID 89354169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).