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

C20H30F3N3O2 — CID 55875818

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C20H30F3N3O2/c1-13(2)7-9-25(10-8-14(3)4)18(27)12-26-19(28)16(20(21,22)23)11-17(24-26)15-5-6-15/h11,13-15H,5-10,12H2,1-4H3
InChIKeyFLHOSGIYNMZMMG-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.06
Rot. Bonds9

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

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide (PubChem CID 55875818) has the molecular formula C20H30F3N3O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide
PubChem CID55875818
Molecular FormulaC20H30F3N3O2
Molecular Weight401.47 g/mol
Exact Mass401.23
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C20H30F3N3O2/c1-13(2)7-9-25(10-8-14(3)4)18(27)12-26-19(28)16(20(21,22)23)11-17(24-26)15-5-6-15/h11,13-15H,5-10,12H2,1-4H3
InChIKeyFLHOSGIYNMZMMG-UHFFFAOYSA-N
XLogP4.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.06
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,N-bis(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide (CID 55875818) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide is CC(C)CCN(CCC(C)C)C(=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,N-bis(3-methylbutyl)acetamide?
The InChIKey is FLHOSGIYNMZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O2/c1-13(2)7-9-25(10-8-14(3)4)18(27)12-26-19(28)16(20(21,22)23)11-17(24-26)15-5-6-15/h11,13-15H,5-10,12H2,1-4H3.
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N,N-bis(3-methylbutyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 4.06, 9 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,N-bis(3-methylbutyl)acetamide is sourced from PubChem (CID 55875818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).