1-phenyl-5H-triazolo[5,1-a]isoindole

C15H11N3 — CID 101373390

IUPAC1-phenyl-5H-triazolo[5,1-a]isoindole
SMILESc1ccc(-c2nnn3c2-c2ccccc2C3)cc1
InChIInChI=1S/C15H11N3/c1-2-6-11(7-3-1)14-15-13-9-5-4-8-12(13)10-18(15)17-16-14/h1-9H,10H2
InChIKeyRPHFMXCRKXTHCB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.97
Rot. Bonds1

About 1-phenyl-5H-triazolo[5,1-a]isoindole

1-phenyl-5H-triazolo[5,1-a]isoindole (PubChem CID 101373390) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-phenyl-5H-triazolo[5,1-a]isoindole.

Molecular Properties

Compound Name1-phenyl-5H-triazolo[5,1-a]isoindole
PubChem CID101373390
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name1-phenyl-5H-triazolo[5,1-a]isoindole
SMILESc1ccc(-c2nnn3c2-c2ccccc2C3)cc1
InChIInChI=1S/C15H11N3/c1-2-6-11(7-3-1)14-15-13-9-5-4-8-12(13)10-18(15)17-16-14/h1-9H,10H2
InChIKeyRPHFMXCRKXTHCB-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5H-triazolo[5,1-a]isoindole?
The IUPAC name of 1-phenyl-5H-triazolo[5,1-a]isoindole (CID 101373390) is 1-phenyl-5H-triazolo[5,1-a]isoindole.
What is the SMILES notation for 1-phenyl-5H-triazolo[5,1-a]isoindole?
The canonical SMILES for 1-phenyl-5H-triazolo[5,1-a]isoindole is c1ccc(-c2nnn3c2-c2ccccc2C3)cc1.
What is the InChIKey of 1-phenyl-5H-triazolo[5,1-a]isoindole?
The InChIKey is RPHFMXCRKXTHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-2-6-11(7-3-1)14-15-13-9-5-4-8-12(13)10-18(15)17-16-14/h1-9H,10H2.
What are the key properties of 1-phenyl-5H-triazolo[5,1-a]isoindole?
1-phenyl-5H-triazolo[5,1-a]isoindole has a molecular weight of 233.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5H-triazolo[5,1-a]isoindole is sourced from PubChem (CID 101373390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).