1-benzyl-4-naphthalen-2-yltriazole

C19H15N3 — CID 101469372

IUPAC1-benzyl-4-naphthalen-2-yltriazole
SMILESc1ccc(Cn2cc(-c3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C19H15N3/c1-2-6-15(7-3-1)13-22-14-19(20-21-22)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,14H,13H2
InChIKeyXRWKCSUOQIPSGI-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.15
Rot. Bonds3

About 1-benzyl-4-naphthalen-2-yltriazole

1-benzyl-4-naphthalen-2-yltriazole (PubChem CID 101469372) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-benzyl-4-naphthalen-2-yltriazole.

Molecular Properties

Compound Name1-benzyl-4-naphthalen-2-yltriazole
PubChem CID101469372
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name1-benzyl-4-naphthalen-2-yltriazole
SMILESc1ccc(Cn2cc(-c3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C19H15N3/c1-2-6-15(7-3-1)13-22-14-19(20-21-22)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,14H,13H2
InChIKeyXRWKCSUOQIPSGI-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-naphthalen-2-yltriazole?
The IUPAC name of 1-benzyl-4-naphthalen-2-yltriazole (CID 101469372) is 1-benzyl-4-naphthalen-2-yltriazole.
What is the SMILES notation for 1-benzyl-4-naphthalen-2-yltriazole?
The canonical SMILES for 1-benzyl-4-naphthalen-2-yltriazole is c1ccc(Cn2cc(-c3ccc4ccccc4c3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-naphthalen-2-yltriazole?
The InChIKey is XRWKCSUOQIPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-6-15(7-3-1)13-22-14-19(20-21-22)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,14H,13H2.
What are the key properties of 1-benzyl-4-naphthalen-2-yltriazole?
1-benzyl-4-naphthalen-2-yltriazole has a molecular weight of 285.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-naphthalen-2-yltriazole is sourced from PubChem (CID 101469372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).