1-naphthalen-1-yl-4-phenyltriazole

C18H13N3 — CID 78136552

IUPAC1-naphthalen-1-yl-4-phenyltriazole
SMILESc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1
InChIInChI=1S/C18H13N3/c1-2-8-15(9-3-1)17-13-21(20-19-17)18-12-6-10-14-7-4-5-11-16(14)18/h1-13H
InChIKeySHUOPOTXYVIKKE-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds2

About 1-naphthalen-1-yl-4-phenyltriazole

1-naphthalen-1-yl-4-phenyltriazole (PubChem CID 78136552) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-phenyltriazole.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-phenyltriazole
PubChem CID78136552
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name1-naphthalen-1-yl-4-phenyltriazole
SMILESc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1
InChIInChI=1S/C18H13N3/c1-2-8-15(9-3-1)17-13-21(20-19-17)18-12-6-10-14-7-4-5-11-16(14)18/h1-13H
InChIKeySHUOPOTXYVIKKE-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-naphthalen-1-yl-4-phenyltriazole 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 1-naphthalen-1-yl-4-phenyltriazole?
The IUPAC name of 1-naphthalen-1-yl-4-phenyltriazole (CID 78136552) is 1-naphthalen-1-yl-4-phenyltriazole.
What is the SMILES notation for 1-naphthalen-1-yl-4-phenyltriazole?
The canonical SMILES for 1-naphthalen-1-yl-4-phenyltriazole is c1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1.
What is the InChIKey of 1-naphthalen-1-yl-4-phenyltriazole?
The InChIKey is SHUOPOTXYVIKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-2-8-15(9-3-1)17-13-21(20-19-17)18-12-6-10-14-7-4-5-11-16(14)18/h1-13H.
What are the key properties of 1-naphthalen-1-yl-4-phenyltriazole?
1-naphthalen-1-yl-4-phenyltriazole has a molecular weight of 271.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-phenyltriazole is sourced from PubChem (CID 78136552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).