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

C17H22F3N3O2 — CID 52695823

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCC1CCCC[C@H]1NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C17H22F3N3O2/c1-10-4-2-3-5-13(10)21-15(24)9-23-16(25)12(17(18,19)20)8-14(22-23)11-6-7-11/h8,10-11,13H,2-7,9H2,1H3,(H,21,24)/t10?,13-/m1/s1
InChIKeyXRGRLYRUNMGLMJ-JLOHTSLTSA-N
MW357.38 g/mol
LogP2.83
Rot. Bonds4

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

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 52695823) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID52695823
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCC1CCCC[C@H]1NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C17H22F3N3O2/c1-10-4-2-3-5-13(10)21-15(24)9-23-16(25)12(17(18,19)20)8-14(22-23)11-6-7-11/h8,10-11,13H,2-7,9H2,1H3,(H,21,24)/t10?,13-/m1/s1
InChIKeyXRGRLYRUNMGLMJ-JLOHTSLTSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 52695823) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is CC1CCCC[C@H]1NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is XRGRLYRUNMGLMJ-JLOHTSLTSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-10-4-2-3-5-13(10)21-15(24)9-23-16(25)12(17(18,19)20)8-14(22-23)11-6-7-11/h8,10-11,13H,2-7,9H2,1H3,(H,21,24)/t10?,13-/m1/s1.
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 357.38 g/mol, XLogP of 2.83, 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-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 52695823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).