6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one

C15H19F3N4O2 — CID 126927120

IUPAC6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(C3CCN(CC(F)(F)F)C3=O)C2)n1
InChIInChI=1S/C15H19F3N4O2/c1-10-2-3-13(23)22(19-10)8-11-6-21(7-11)12-4-5-20(14(12)24)9-15(16,17)18/h2-3,11-12H,4-9H2,1H3
InChIKeyXOPHGUDTEMSGFH-UHFFFAOYSA-N
MW344.34 g/mol
LogP0.65
Rot. Bonds4

About 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927120) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927120
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(C3CCN(CC(F)(F)F)C3=O)C2)n1
InChIInChI=1S/C15H19F3N4O2/c1-10-2-3-13(23)22(19-10)8-11-6-21(7-11)12-4-5-20(14(12)24)9-15(16,17)18/h2-3,11-12H,4-9H2,1H3
InChIKeyXOPHGUDTEMSGFH-UHFFFAOYSA-N
XLogP0.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
3-[3-(hydroxymethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111442440
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
6-methyl-2-[[1-(2-methyl-4-pyridinyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926995
3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163351786
6-(difluoromethyl)-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944080
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
3-(2-methylthiomorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56787375
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863989
3-[5-(5-chloro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163354486
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95619611

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927120) is 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CN(C3CCN(CC(F)(F)F)C3=O)C2)n1.
What is the InChIKey of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is XOPHGUDTEMSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-10-2-3-13(23)22(19-10)8-11-6-21(7-11)12-4-5-20(14(12)24)9-15(16,17)18/h2-3,11-12H,4-9H2,1H3.
What are the key properties of 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 344.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).