2,4,5-triphenyl-3H-1,2,4-triazole

C20H17N3 — CID 6097222

IUPAC2,4,5-triphenyl-3H-1,2,4-triazole
SMILESc1ccc(C2=NN(c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C20H17N3/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyNNVGTIRYCCWRSL-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.33
Rot. Bonds3

About 2,4,5-triphenyl-3H-1,2,4-triazole

2,4,5-triphenyl-3H-1,2,4-triazole (PubChem CID 6097222) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2,4,5-triphenyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2,4,5-triphenyl-3H-1,2,4-triazole
PubChem CID6097222
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2,4,5-triphenyl-3H-1,2,4-triazole
SMILESc1ccc(C2=NN(c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C20H17N3/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyNNVGTIRYCCWRSL-UHFFFAOYSA-N
XLogP4.33
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-3H-1,2,4-triazole?
The IUPAC name of 2,4,5-triphenyl-3H-1,2,4-triazole (CID 6097222) is 2,4,5-triphenyl-3H-1,2,4-triazole.
What is the SMILES notation for 2,4,5-triphenyl-3H-1,2,4-triazole?
The canonical SMILES for 2,4,5-triphenyl-3H-1,2,4-triazole is c1ccc(C2=NN(c3ccccc3)CN2c2ccccc2)cc1.
What is the InChIKey of 2,4,5-triphenyl-3H-1,2,4-triazole?
The InChIKey is NNVGTIRYCCWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18/h1-15H,16H2.
What are the key properties of 2,4,5-triphenyl-3H-1,2,4-triazole?
2,4,5-triphenyl-3H-1,2,4-triazole has a molecular weight of 299.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-3H-1,2,4-triazole is sourced from PubChem (CID 6097222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).