N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

C18H24F3N3O2 — CID 71890699

IUPACN-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC1CCCCCCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-10-15(12-8-9-12)23-24(17(14)26)11-16(25)22-13-6-4-2-1-3-5-7-13/h10,12-13H,1-9,11H2,(H,22,25)
InChIKeyNUHHTRAJCAYYOQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.37
Rot. Bonds4

About N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (PubChem CID 71890699) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
PubChem CID71890699
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC1CCCCCCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-10-15(12-8-9-12)23-24(17(14)26)11-16(25)22-13-6-4-2-1-3-5-7-13/h10,12-13H,1-9,11H2,(H,22,25)
InChIKeyNUHHTRAJCAYYOQ-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 52695819
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide
CID 52695820
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 52695821
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52695822
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52695823
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 52695824
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 55874280
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
CID 55875298
N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55876198
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 60211372
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 122246444

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (CID 71890699) is N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The InChIKey is NUHHTRAJCAYYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)14-10-15(12-8-9-12)23-24(17(14)26)11-16(25)22-13-6-4-2-1-3-5-7-13/h10,12-13H,1-9,11H2,(H,22,25).
What are the key properties of N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 71890699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).