2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione

C18H17F3N4O2 — CID 175803390

IUPAC2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione
SMILESCc1c(C(C)Nc2nn(C)c(=O)c3cc(=O)[nH]cc23)cccc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O2/c1-9-11(5-4-6-14(9)18(19,20)21)10(2)23-16-13-8-22-15(26)7-12(13)17(27)25(3)24-16/h4-8,10H,1-3H3,(H,22,26)(H,23,24)
InChIKeyABQFCAKFAIXGRD-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione

2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione (PubChem CID 175803390) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione.

Molecular Properties

Compound Name2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione
PubChem CID175803390
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione
SMILESCc1c(C(C)Nc2nn(C)c(=O)c3cc(=O)[nH]cc23)cccc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O2/c1-9-11(5-4-6-14(9)18(19,20)21)10(2)23-16-13-8-22-15(26)7-12(13)17(27)25(3)24-16/h4-8,10H,1-3H3,(H,22,26)(H,23,24)
InChIKeyABQFCAKFAIXGRD-UHFFFAOYSA-N
XLogP3.12
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione with MolForge

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Related Compounds

2-methyl-6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
CID 174223820
2-methyl-6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,4-d]pyridazine-1,7-dione
CID 166147452
8-chloro-6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
CID 174223980
6-cyclopropyl-2-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[3,4-d]pyridazine-1,7-dione
CID 174223913
1,3,3,5-tetramethyl-8-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,3-g]phthalazin-2-one
CID 167310881
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazin-7-one
CID 168985278
tert-butyl 2-[6-cyclopropyl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-1,7-dioxopyrido[3,4-d]pyridazin-8-yl]pyrrolidine-1-carboxylate
CID 174223713
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 170158881
4-[1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]ethylamino]-6-[1-(difluoromethyl)cyclopropyl]-2-methylpyrido[3,4-d]pyridazine-1,7-dione
CID 174223974
2-methyl-6-(1-methylcyclopropyl)-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[4,3-d]pyrimidin-7-one;hydrochloride
CID 171340862
6-dimethylphosphoryl-2-methyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 167166014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione?
The IUPAC name of 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione (CID 175803390) is 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione.
What is the SMILES notation for 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione?
The canonical SMILES for 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione is Cc1c(C(C)Nc2nn(C)c(=O)c3cc(=O)[nH]cc23)cccc1C(F)(F)F.
What is the InChIKey of 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione?
The InChIKey is ABQFCAKFAIXGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-9-11(5-4-6-14(9)18(19,20)21)10(2)23-16-13-8-22-15(26)7-12(13)17(27)25(3)24-16/h4-8,10H,1-3H3,(H,22,26)(H,23,24).
What are the key properties of 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione?
2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione has a molecular weight of 378.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]-6H-pyrido[3,4-d]pyridazine-1,7-dione is sourced from PubChem (CID 175803390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).