3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one

C19H20F3N3O — CID 23503235

IUPAC3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one
SMILESCC(C)Cc1nn(C)c(=O)c2cn(Cc3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C19H20F3N3O/c1-12(2)8-17-14-10-25(11-15(14)18(26)24(3)23-17)9-13-6-4-5-7-16(13)19(20,21)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyMYIJJRHIIVSDCX-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.00
Rot. Bonds4

About 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one

3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 23503235) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one
PubChem CID23503235
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one
SMILESCC(C)Cc1nn(C)c(=O)c2cn(Cc3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C19H20F3N3O/c1-12(2)8-17-14-10-25(11-15(14)18(26)24(3)23-17)9-13-6-4-5-7-16(13)19(20,21)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyMYIJJRHIIVSDCX-UHFFFAOYSA-N
XLogP4.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one with MolForge

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Related Compounds

3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
4-(bromomethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
CID 114204847
3-(2-methylpropyl)-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3681789
5-[6-(1-hydroxyethyl)-2-pyridinyl]-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-one
CID 122424253
2-methyl-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]phthalazin-1-one
CID 157130488
3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71977050
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
4-ethyl-2-methylphthalazin-1-one
CID 58923354
1-(2-methylpropyl)-5-nitro-3-(2-phenylethyl)-6-[2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethenyl]pyrimidine-2,4-dione
CID 91537824
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
(3S,6S)-1,3,6-trimethyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 165420173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one (CID 23503235) is 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one is CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccccc3C(F)(F)F)cc12.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is MYIJJRHIIVSDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-12(2)8-17-14-10-25(11-15(14)18(26)24(3)23-17)9-13-6-4-5-7-16(13)19(20,21)22/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one?
3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 363.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 23503235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).