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

C18H24F3N3O2 — CID 55874280

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)C1C
InChIInChI=1S/C18H24F3N3O2/c1-10-4-3-5-14(11(10)2)22-16(25)9-24-17(26)13(18(19,20)21)8-15(23-24)12-6-7-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,22,25)
InChIKeyYNNUZSHFIBMQQK-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.08
Rot. Bonds4

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

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 55874280) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID55874280
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)C1C
InChIInChI=1S/C18H24F3N3O2/c1-10-4-3-5-14(11(10)2)22-16(25)9-24-17(26)13(18(19,20)21)8-15(23-24)12-6-7-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,22,25)
InChIKeyYNNUZSHFIBMQQK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methylcyclohexyl)carbamoyl]acetamide
CID 55874279
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55875812
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
N-cyclooctyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 71890699
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]propanamide
CID 145875385
N-(2,3-dimethylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 46419861
1-butyl-N-(2,3-dimethylcyclohexyl)-6-oxopyridazine-3-carboxamide
CID 60423393

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 55874280) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)C1C.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is YNNUZSHFIBMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-10-4-3-5-14(11(10)2)22-16(25)9-24-17(26)13(18(19,20)21)8-15(23-24)12-6-7-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 55874280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).