2,4,5-triphenyltriazole

C20H15N3 — CID 561195

IUPAC2,4,5-triphenyltriazole
SMILESc1ccc(-c2nn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23(21-19)18-14-8-3-9-15-18/h1-15H
InChIKeyIGCQUFIXBNFPGT-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.60
Rot. Bonds3

About 2,4,5-triphenyltriazole

2,4,5-triphenyltriazole (PubChem CID 561195) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,4,5-triphenyltriazole.

Molecular Properties

Compound Name2,4,5-triphenyltriazole
PubChem CID561195
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name2,4,5-triphenyltriazole
SMILESc1ccc(-c2nn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23(21-19)18-14-8-3-9-15-18/h1-15H
InChIKeyIGCQUFIXBNFPGT-UHFFFAOYSA-N
XLogP4.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyltriazole?
The IUPAC name of 2,4,5-triphenyltriazole (CID 561195) is 2,4,5-triphenyltriazole.
What is the SMILES notation for 2,4,5-triphenyltriazole?
The canonical SMILES for 2,4,5-triphenyltriazole is c1ccc(-c2nn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2,4,5-triphenyltriazole?
The InChIKey is IGCQUFIXBNFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23(21-19)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,4,5-triphenyltriazole?
2,4,5-triphenyltriazole has a molecular weight of 297.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyltriazole is sourced from PubChem (CID 561195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).