6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile

C42H25ClF9N19O4 — CID 172921121

About 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile

6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (PubChem CID 172921121) has the molecular formula C42H25ClF9N19O4 and a molecular weight of 1066.23 g/mol. Its IUPAC name is 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
• PubChem CID: 172921121
• Molecular Formula: C42H25ClF9N19O4
• Molecular Weight: 1066.23 g/mol
• Exact Mass: 1065.19
• IUPAC Name: 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
• SMILES: N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)nn1.Nc1ncc(-c2ccc(C(F)(F)F)cn2)o1
• InChI: InChI=1S/C14H10F3N7O2.C14H7F3N6O.C9H6F3N3O.C5H2ClN3/c15-14(16,17)7-1-2-8(19-5-7)10-6-20-13(26-10)21-11-4-3-9(22-23-11)12(18)24-25;15-14(16,17)8-1-3-10(19-6-8)11-7-20-13(24-11)21-12-4-2-9(5-18)22-23-12;10-9(11,12)5-1-2-6(14-3-5)7-4-15-8(13)16-7;6-5-2-1-4(3-7)8-9-5/h1-6,25H,(H2,18,24)(H,20,21,23);1-4,6-7H,(H,20,21,23);1-4H,(H2,13,15);1-2H
• InChIKey: XLXSQASGOWIYII-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 350.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1066.23
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

The IUPAC name of 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (CID 172921121) is 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

What is the SMILES notation for 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

The canonical SMILES for 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is N#Cc1ccc(Cl)nn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)nn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)nn1.Nc1ncc(-c2ccc(C(F)(F)F)cn2)o1.

What is the InChIKey of 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

The InChIKey is XLXSQASGOWIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N7O2.C14H7F3N6O.C9H6F3N3O.C5H2ClN3/c15-14(16,17)7-1-2-8(19-5-7)10-6-20-13(26-10)21-11-4-3-9(22-23-11)12(18)24-25;15-14(16,17)8-1-3-10(19-6-8)11-7-20-13(24-11)21-12-4-2-9(5-18)22-23-12;10-9(11,12)5-1-2-6(14-3-5)7-4-15-8(13)16-7;6-5-2-1-4(3-7)8-9-5/h1-6,25H,(H2,18,24)(H,20,21,23);1-4,6-7H,(H,20,21,23);1-4H,(H2,13,15);1-2H.

What are the key properties of 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?

6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile has a molecular weight of 1066.23 g/mol, XLogP of 8.88, 8 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridazine-3-carbonitrile;N'-hydroxy-6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;6-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 172921121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).