(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one

C15H17F2N5O — CID 97009592

IUPAC(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one
SMILESCN(Cc1ncnn1C)[C@@H]1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C15H17F2N5O/c1-20(8-13-18-9-19-21(13)2)12-6-7-22(15(12)23)14-10(16)4-3-5-11(14)17/h3-5,9,12H,6-8H2,1-2H3/t12-/m1/s1
InChIKeyWSRVMDRLVPVRMK-GFCCVEGCSA-N
MW321.33 g/mol
LogP1.33
Rot. Bonds4

About (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one

(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one (PubChem CID 97009592) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one
PubChem CID97009592
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC Name(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one
SMILESCN(Cc1ncnn1C)[C@@H]1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C15H17F2N5O/c1-20(8-13-18-9-19-21(13)2)12-6-7-22(15(12)23)14-10(16)4-3-5-11(14)17/h3-5,9,12H,6-8H2,1-2H3/t12-/m1/s1
InChIKeyWSRVMDRLVPVRMK-GFCCVEGCSA-N
XLogP1.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one (CID 97009592) is (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one is CN(Cc1ncnn1C)[C@@H]1CCN(c2c(F)cccc2F)C1=O.
What is the InChIKey of (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one?
The InChIKey is WSRVMDRLVPVRMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-20(8-13-18-9-19-21(13)2)12-6-7-22(15(12)23)14-10(16)4-3-5-11(14)17/h3-5,9,12H,6-8H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one?
(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one has a molecular weight of 321.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97009592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).