2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole

C15H10FN3 — CID 1236969

IUPAC2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SMILESFc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1
InChIInChI=1S/C15H10FN3/c16-12-7-5-10(6-8-12)14-17-15-13-4-2-1-3-11(13)9-19(15)18-14/h1-8H,9H2
InChIKeyOTMSGGRGWSIHPW-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.11
Rot. Bonds1

About 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole

2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole (PubChem CID 1236969) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
PubChem CID1236969
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SMILESFc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1
InChIInChI=1S/C15H10FN3/c16-12-7-5-10(6-8-12)14-17-15-13-4-2-1-3-11(13)9-19(15)18-14/h1-8H,9H2
InChIKeyOTMSGGRGWSIHPW-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The IUPAC name of 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole (CID 1236969) is 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole.
What is the SMILES notation for 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The canonical SMILES for 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole is Fc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
The InChIKey is OTMSGGRGWSIHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c16-12-7-5-10(6-8-12)14-17-15-13-4-2-1-3-11(13)9-19(15)18-14/h1-8H,9H2.
What are the key properties of 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole?
2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole has a molecular weight of 251.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole is sourced from PubChem (CID 1236969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).