azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

C15H15FN4O — CID 134563866

IUPACazetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
SMILESO=C(c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F)N1CCC1
InChIInChI=1S/C15H15FN4O/c16-11-9-12(10-5-2-1-3-6-10)20-14(11)17-13(18-20)15(21)19-7-4-8-19/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m1/s1
InChIKeyIMRNSTDLJZANRF-VXGBXAGGSA-N
MW286.31 g/mol
LogP2.13
Rot. Bonds2

About azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 134563866) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
PubChem CID134563866
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Nameazetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
SMILESO=C(c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F)N1CCC1
InChIInChI=1S/C15H15FN4O/c16-11-9-12(10-5-2-1-3-6-10)20-14(11)17-13(18-20)15(21)19-7-4-8-19/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m1/s1
InChIKeyIMRNSTDLJZANRF-VXGBXAGGSA-N
XLogP2.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 134563866) is azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is O=C(c1nc2n(n1)[C@@H](c1ccccc1)C[C@H]2F)N1CCC1.
What is the InChIKey of azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The InChIKey is IMRNSTDLJZANRF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-11-9-12(10-5-2-1-3-6-10)20-14(11)17-13(18-20)15(21)19-7-4-8-19/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m1/s1.
What are the key properties of azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone has a molecular weight of 286.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(5R,7R)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is sourced from PubChem (CID 134563866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).