2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one

C18H16F3N5O2 — CID 143593163

IUPAC2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one
SMILESCN1N=C(c2ccc(N3CC(OCc4ccccc4C(F)(F)F)C3)nn2)C1=O
InChIInChI=1S/C18H16F3N5O2/c1-25-17(27)16(24-25)14-6-7-15(23-22-14)26-8-12(9-26)28-10-11-4-2-3-5-13(11)18(19,20)21/h2-7,12H,8-10H2,1H3
InChIKeyPNEOASSFVUVOFS-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.08
Rot. Bonds5

About 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one

2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one (PubChem CID 143593163) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one.

Molecular Properties

Compound Name2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one
PubChem CID143593163
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one
SMILESCN1N=C(c2ccc(N3CC(OCc4ccccc4C(F)(F)F)C3)nn2)C1=O
InChIInChI=1S/C18H16F3N5O2/c1-25-17(27)16(24-25)14-6-7-15(23-22-14)26-8-12(9-26)28-10-11-4-2-3-5-13(11)18(19,20)21/h2-7,12H,8-10H2,1H3
InChIKeyPNEOASSFVUVOFS-UHFFFAOYSA-N
XLogP2.08
TPSA70.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-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 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one?
The IUPAC name of 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one (CID 143593163) is 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one.
What is the SMILES notation for 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one?
The canonical SMILES for 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one is CN1N=C(c2ccc(N3CC(OCc4ccccc4C(F)(F)F)C3)nn2)C1=O.
What is the InChIKey of 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one?
The InChIKey is PNEOASSFVUVOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-25-17(27)16(24-25)14-6-7-15(23-22-14)26-8-12(9-26)28-10-11-4-2-3-5-13(11)18(19,20)21/h2-7,12H,8-10H2,1H3.
What are the key properties of 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one?
2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one has a molecular weight of 391.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-[3-[[2-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]pyridazin-3-yl]diazet-3-one is sourced from PubChem (CID 143593163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).