4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole

C20H17N3O — CID 75393112

IUPAC4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
SMILESCn1c(COc2cccc3ccccc23)nnc1-c1ccccc1
InChIInChI=1S/C20H17N3O/c1-23-19(21-22-20(23)16-9-3-2-4-10-16)14-24-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,14H2,1H3
InChIKeyODQIFNHTGDFPTG-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.21
Rot. Bonds4

About 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole

4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole (PubChem CID 75393112) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
PubChem CID75393112
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole
SMILESCn1c(COc2cccc3ccccc23)nnc1-c1ccccc1
InChIInChI=1S/C20H17N3O/c1-23-19(21-22-20(23)16-9-3-2-4-10-16)14-24-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,14H2,1H3
InChIKeyODQIFNHTGDFPTG-UHFFFAOYSA-N
XLogP4.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole (CID 75393112) is 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole is Cn1c(COc2cccc3ccccc23)nnc1-c1ccccc1.
What is the InChIKey of 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole?
The InChIKey is ODQIFNHTGDFPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23-19(21-22-20(23)16-9-3-2-4-10-16)14-24-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,14H2,1H3.
What are the key properties of 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole?
4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole has a molecular weight of 315.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(naphthalen-1-yloxymethyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 75393112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).