4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one

C16H22F3N3O2 — CID 171492967

IUPAC4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCC(C)C(=O)CC1CCN1Cc1n[nH]c(=O)c(C(F)(F)F)c1C
InChIInChI=1S/C16H22F3N3O2/c1-4-9(2)13(23)7-11-5-6-22(11)8-12-10(3)14(16(17,18)19)15(24)21-20-12/h9,11H,4-8H2,1-3H3,(H,21,24)
InChIKeyVPJBUKFRZWYJDP-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.68
Rot. Bonds6

About 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one

4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 171492967) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID171492967
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCC(C)C(=O)CC1CCN1Cc1n[nH]c(=O)c(C(F)(F)F)c1C
InChIInChI=1S/C16H22F3N3O2/c1-4-9(2)13(23)7-11-5-6-22(11)8-12-10(3)14(16(17,18)19)15(24)21-20-12/h9,11H,4-8H2,1-3H3,(H,21,24)
InChIKeyVPJBUKFRZWYJDP-UHFFFAOYSA-N
XLogP2.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

butane;hexane;4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492966
N-[6-[3-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]azetidin-3-yl]-6-oxohexyl]-N-propylcyclopropanecarboxamide
CID 171493215

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 171492967) is 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one is CCC(C)C(=O)CC1CCN1Cc1n[nH]c(=O)c(C(F)(F)F)c1C.
What is the InChIKey of 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is VPJBUKFRZWYJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-4-9(2)13(23)7-11-5-6-22(11)8-12-10(3)14(16(17,18)19)15(24)21-20-12/h9,11H,4-8H2,1-3H3,(H,21,24).
What are the key properties of 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 345.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(3-methyl-2-oxopentyl)azetidin-1-yl]methyl]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 171492967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).