5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole

C22H17N5 — CID 25164272

IUPAC5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1
InChIInChI=1S/C22H17N5/c1-3-7-16(8-4-1)14-27-15-21(24-26-27)18-11-12-20-19(13-18)22(25-23-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,23,25)
InChIKeyAGYZUONRISUOIK-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.54
Rot. Bonds4

About 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole

5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole (PubChem CID 25164272) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole
PubChem CID25164272
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1
InChIInChI=1S/C22H17N5/c1-3-7-16(8-4-1)14-27-15-21(24-26-27)18-11-12-20-19(13-18)22(25-23-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,23,25)
InChIKeyAGYZUONRISUOIK-UHFFFAOYSA-N
XLogP4.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole (CID 25164272) is 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole is c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole?
The InChIKey is AGYZUONRISUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-3-7-16(8-4-1)14-27-15-21(24-26-27)18-11-12-20-19(13-18)22(25-23-20)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,23,25).
What are the key properties of 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole?
5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole has a molecular weight of 351.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-3-phenyl-1H-indazole is sourced from PubChem (CID 25164272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).