2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C18H24F3N3O2 — CID 55875812

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C18H24F3N3O2/c1-11-3-7-13(8-4-11)23(2)16(25)10-24-17(26)14(18(19,20)21)9-15(22-24)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3
InChIKeyMSFWINYDLWIANA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 55875812) 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-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID55875812
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C18H24F3N3O2/c1-11-3-7-13(8-4-11)23(2)16(25)10-24-17(26)14(18(19,20)21)9-15(22-24)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3
InChIKeyMSFWINYDLWIANA-UHFFFAOYSA-N
XLogP3.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
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-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 55875812) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is MSFWINYDLWIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-11-3-7-13(8-4-11)23(2)16(25)10-24-17(26)14(18(19,20)21)9-15(22-24)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 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-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 55875812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).