4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole

C24H17N3 — CID 12778947

IUPAC4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17N3/c1-3-10-19(11-4-1)23-25-26-24(20-12-5-2-6-13-20)27(23)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H
InChIKeyDXZRAGOWMLSWEJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.75
Rot. Bonds3

About 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole

4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole (PubChem CID 12778947) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
PubChem CID12778947
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC Name4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17N3/c1-3-10-19(11-4-1)23-25-26-24(20-12-5-2-6-13-20)27(23)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H
InChIKeyDXZRAGOWMLSWEJ-UHFFFAOYSA-N
XLogP5.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole (CID 12778947) is 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
The InChIKey is DXZRAGOWMLSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3/c1-3-10-19(11-4-1)23-25-26-24(20-12-5-2-6-13-20)27(23)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H.
What are the key properties of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole has a molecular weight of 347.42 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 12778947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).