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

Analyze 1-phenyl-5H-triazolo[5,1-a]isoindole with MolForge

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

Launch Full Analysis

Related Compounds

1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-
CID 283388
3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-C][1,2,3]triazole
CID 12345146
3-Phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
CID 12345147
4,5-Diphenyl-1-propan-2-yltriazole
CID 1216333
1-Benzyl-5-iodo-4-phenyl-1H-1,2,3-triazole
CID 11703242
1-Benzyl-5-methyl-4-phenyltriazole
CID 14910606
(2S,9S)-2-(2-fluorophenyl)-4-phenyl-1,5,6,7-tetrazatricyclo[7.3.0.03,7]dodeca-3,5-diene
CID 71764509
1-Benzyl-4-(4-fluorophenyl)-5-iodotriazole
CID 72724370
5-Fluoro-4-phenyl-1-(2-phenylethyl)triazole
CID 102310186
1-Benzyl-4-phenyl-5-(2,2,2-trifluoroethyl)triazole
CID 132531728
1-Benzyl-5-phenyl-4-(2,2,2-trifluoroethyl)triazole
CID 134844011

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).