(3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

C15H14F2N4O — CID 134563843

IUPAC(3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1F)CC2)N1CC(F)C1
InChIInChI=1S/C15H14F2N4O/c16-9-7-20(8-9)15(22)14-18-13-6-5-12(21(13)19-14)10-3-1-2-4-11(10)17/h1-4,9,12H,5-8H2
InChIKeyKRRQGSRMYLIWHG-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.75
Rot. Bonds2

About (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

(3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 134563843) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
PubChem CID134563843
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1F)CC2)N1CC(F)C1
InChIInChI=1S/C15H14F2N4O/c16-9-7-20(8-9)15(22)14-18-13-6-5-12(21(13)19-14)10-3-1-2-4-11(10)17/h1-4,9,12H,5-8H2
InChIKeyKRRQGSRMYLIWHG-UHFFFAOYSA-N
XLogP1.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 134563843) is (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is O=C(c1nc2n(n1)C(c1ccccc1F)CC2)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The InChIKey is KRRQGSRMYLIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-9-7-20(8-9)15(22)14-18-13-6-5-12(21(13)19-14)10-3-1-2-4-11(10)17/h1-4,9,12H,5-8H2.
What are the key properties of (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
(3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone has a molecular weight of 304.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is sourced from PubChem (CID 134563843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).