6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene

C26H26F8N6O — CID 177328011

About 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene

6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene (PubChem CID 177328011) has the molecular formula C26H26F8N6O and a molecular weight of 590.52 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene.

Molecular Properties

• Compound Name: 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene
• PubChem CID: 177328011
• Molecular Formula: C26H26F8N6O
• Molecular Weight: 590.52 g/mol
• Exact Mass: 590.20
• IUPAC Name: 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene
• SMILES: Fc1cc(F)cc(F)c1.NN/C(=C(\N)c1cc(C2CCCCC2)c(=O)n(Cc2ncccc2C(F)(F)F)n1)C(F)F
• InChI: InChI=1S/C20H23F5N6O.C6H3F3/c21-18(22)17(29-27)16(26)14-9-12(11-5-2-1-3-6-11)19(32)31(30-14)10-15-13(20(23,24)25)7-4-8-28-15;7-4-1-5(8)3-6(9)2-4/h4,7-9,11,18,29H,1-3,5-6,10,26-27H2;1-3H/b17-16-
• InChIKey: YOIFQAZJJIQKHG-XYJRJTJESA-N
• XLogP: 5.21
• TPSA: 111.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene?

The IUPAC name of 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene (CID 177328011) is 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene.

What is the SMILES notation for 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene?

The canonical SMILES for 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene is Fc1cc(F)cc(F)c1.NN/C(=C(\N)c1cc(C2CCCCC2)c(=O)n(Cc2ncccc2C(F)(F)F)n1)C(F)F.

What is the InChIKey of 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene?

The InChIKey is YOIFQAZJJIQKHG-XYJRJTJESA-N. The full InChI is InChI=1S/C20H23F5N6O.C6H3F3/c21-18(22)17(29-27)16(26)14-9-12(11-5-2-1-3-6-11)19(32)31(30-14)10-15-13(20(23,24)25)7-4-8-28-15;7-4-1-5(8)3-6(9)2-4/h4,7-9,11,18,29H,1-3,5-6,10,26-27H2;1-3H/b17-16-;.

What are the key properties of 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene?

6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene has a molecular weight of 590.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-1-amino-3,3-difluoro-2-hydrazinylprop-1-enyl]-4-cyclohexyl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1,3,5-trifluorobenzene is sourced from PubChem (CID 177328011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).