5-methyl-1-naphthalen-1-yl-4-phenyltriazole

C19H15N3 — CID 3053677

IUPAC5-methyl-1-naphthalen-1-yl-4-phenyltriazole
SMILESCc1c(-c2ccccc2)nnn1-c1cccc2ccccc12
InChIInChI=1S/C19H15N3/c1-14-19(16-9-3-2-4-10-16)20-21-22(14)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKeyWDWFIOIBHBOPRJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds2

About 5-methyl-1-naphthalen-1-yl-4-phenyltriazole

5-methyl-1-naphthalen-1-yl-4-phenyltriazole (PubChem CID 3053677) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-1-naphthalen-1-yl-4-phenyltriazole.

Molecular Properties

Compound Name5-methyl-1-naphthalen-1-yl-4-phenyltriazole
PubChem CID3053677
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name5-methyl-1-naphthalen-1-yl-4-phenyltriazole
SMILESCc1c(-c2ccccc2)nnn1-c1cccc2ccccc12
InChIInChI=1S/C19H15N3/c1-14-19(16-9-3-2-4-10-16)20-21-22(14)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKeyWDWFIOIBHBOPRJ-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-naphthalen-1-yl-4-phenyltriazole?
The IUPAC name of 5-methyl-1-naphthalen-1-yl-4-phenyltriazole (CID 3053677) is 5-methyl-1-naphthalen-1-yl-4-phenyltriazole.
What is the SMILES notation for 5-methyl-1-naphthalen-1-yl-4-phenyltriazole?
The canonical SMILES for 5-methyl-1-naphthalen-1-yl-4-phenyltriazole is Cc1c(-c2ccccc2)nnn1-c1cccc2ccccc12.
What is the InChIKey of 5-methyl-1-naphthalen-1-yl-4-phenyltriazole?
The InChIKey is WDWFIOIBHBOPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-14-19(16-9-3-2-4-10-16)20-21-22(14)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3.
What are the key properties of 5-methyl-1-naphthalen-1-yl-4-phenyltriazole?
5-methyl-1-naphthalen-1-yl-4-phenyltriazole has a molecular weight of 285.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-naphthalen-1-yl-4-phenyltriazole is sourced from PubChem (CID 3053677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).