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

C26H21N3 — CID 4104836

IUPAC2,3,4,5-tetraphenyl-3H-1,2,4-triazole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C26H21N3/c1-5-13-21(14-6-1)25-27-29(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28(25)23-17-9-3-10-18-23/h1-20,26H
InChIKeyNGDYMFAYUXLTEA-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.07
Rot. Bonds4

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

2,3,4,5-tetraphenyl-3H-1,2,4-triazole (PubChem CID 4104836) has the molecular formula C26H21N3 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2,3,4,5-tetraphenyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2,3,4,5-tetraphenyl-3H-1,2,4-triazole
PubChem CID4104836
Molecular FormulaC26H21N3
Molecular Weight375.48 g/mol
Exact Mass375.17
IUPAC Name2,3,4,5-tetraphenyl-3H-1,2,4-triazole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C26H21N3/c1-5-13-21(14-6-1)25-27-29(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28(25)23-17-9-3-10-18-23/h1-20,26H
InChIKeyNGDYMFAYUXLTEA-UHFFFAOYSA-N
XLogP6.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraphenyl-3H-1,2,4-triazole?
The IUPAC name of 2,3,4,5-tetraphenyl-3H-1,2,4-triazole (CID 4104836) is 2,3,4,5-tetraphenyl-3H-1,2,4-triazole.
What is the SMILES notation for 2,3,4,5-tetraphenyl-3H-1,2,4-triazole?
The canonical SMILES for 2,3,4,5-tetraphenyl-3H-1,2,4-triazole is c1ccc(C2=NN(c3ccccc3)C(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 2,3,4,5-tetraphenyl-3H-1,2,4-triazole?
The InChIKey is NGDYMFAYUXLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3/c1-5-13-21(14-6-1)25-27-29(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28(25)23-17-9-3-10-18-23/h1-20,26H.
What are the key properties of 2,3,4,5-tetraphenyl-3H-1,2,4-triazole?
2,3,4,5-tetraphenyl-3H-1,2,4-triazole has a molecular weight of 375.48 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraphenyl-3H-1,2,4-triazole is sourced from PubChem (CID 4104836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).