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

C15H15FN4O — CID 134563871

IUPACazetidin-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)N1CCC1
InChIInChI=1S/C15H15FN4O/c16-11-5-2-1-4-10(11)12-6-7-13-17-14(18-20(12)13)15(21)19-8-3-9-19/h1-2,4-5,12H,3,6-9H2
InChIKeyFTPNGKOGOBSTQA-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.80
Rot. Bonds2

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

azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 134563871) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
PubChem CID134563871
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Nameazetidin-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)N1CCC1
InChIInChI=1S/C15H15FN4O/c16-11-5-2-1-4-10(11)12-6-7-13-17-14(18-20(12)13)15(21)19-8-3-9-19/h1-2,4-5,12H,3,6-9H2
InChIKeyFTPNGKOGOBSTQA-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Flizasertib
CID 137408242
US11071721, Example 54
CID 134563827
US11071721, Example 79
CID 134563834
US11071721, Example 1
CID 134563836
Method #16
CID 134563838
US11607396, Example 86
CID 134563842
US11071721, Example 24
CID 134563843
US11071721, Example 84
CID 134563858
US11071721, Example 104
CID 134563866
US11071721, Example 20
CID 134563872
US11071721, Example 70
CID 134563880
US11071721, Example 105
CID 134563884

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 134563871) is azetidin-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 azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The canonical SMILES for azetidin-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)N1CCC1.
What is the InChIKey of azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The InChIKey is FTPNGKOGOBSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-11-5-2-1-4-10(11)12-6-7-13-17-14(18-20(12)13)15(21)19-8-3-9-19/h1-2,4-5,12H,3,6-9H2.
What are the key properties of azetidin-1-yl-[5-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
azetidin-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 286.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-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 134563871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).