3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one

C17H15F3N6O2 — CID 170139819

IUPAC3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one
SMILESCOc1ccc(-c2nnc(NC3CCNC3=O)n3cncc23)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N6O2/c1-28-9-2-3-10(11(6-9)17(18,19)20)14-13-7-21-8-26(13)16(25-24-14)23-12-4-5-22-15(12)27/h2-3,6-8,12H,4-5H2,1H3,(H,22,27)(H,23,25)
InChIKeyHWDKWTDRHSXVOR-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.12
Rot. Bonds4

About 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one

3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one (PubChem CID 170139819) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one
PubChem CID170139819
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one
SMILESCOc1ccc(-c2nnc(NC3CCNC3=O)n3cncc23)c(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N6O2/c1-28-9-2-3-10(11(6-9)17(18,19)20)14-13-7-21-8-26(13)16(25-24-14)23-12-4-5-22-15(12)27/h2-3,6-8,12H,4-5H2,1H3,(H,22,27)(H,23,25)
InChIKeyHWDKWTDRHSXVOR-UHFFFAOYSA-N
XLogP2.12
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one (CID 170139819) is 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one is COc1ccc(-c2nnc(NC3CCNC3=O)n3cncc23)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is HWDKWTDRHSXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-28-9-2-3-10(11(6-9)17(18,19)20)14-13-7-21-8-26(13)16(25-24-14)23-12-4-5-22-15(12)27/h2-3,6-8,12H,4-5H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one?
3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 392.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-methoxy-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 170139819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).