3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one

C18H19F3N4O2 — CID 177105928

IUPAC3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(CNC2CCN(C)C2=O)nn1
InChIInChI=1S/C18H19F3N4O2/c1-10-7-11(18(19,20)21)8-15(26)16(10)13-4-3-12(23-24-13)9-22-14-5-6-25(2)17(14)27/h3-4,7-8,14,22,26H,5-6,9H2,1-2H3
InChIKeyOEGKYOOMXCBAQI-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.50
Rot. Bonds4

About 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one

3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one (PubChem CID 177105928) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one
PubChem CID177105928
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(CNC2CCN(C)C2=O)nn1
InChIInChI=1S/C18H19F3N4O2/c1-10-7-11(18(19,20)21)8-15(26)16(10)13-4-3-12(23-24-13)9-22-14-5-6-25(2)17(14)27/h3-4,7-8,14,22,26H,5-6,9H2,1-2H3
InChIKeyOEGKYOOMXCBAQI-UHFFFAOYSA-N
XLogP2.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one (CID 177105928) is 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(CNC2CCN(C)C2=O)nn1.
What is the InChIKey of 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is OEGKYOOMXCBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-10-7-11(18(19,20)21)8-15(26)16(10)13-4-3-12(23-24-13)9-22-14-5-6-25(2)17(14)27/h3-4,7-8,14,22,26H,5-6,9H2,1-2H3.
What are the key properties of 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one?
3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 380.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 177105928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).