4-(naphthalen-2-yloxymethyl)-1-propyltriazole

C16H17N3O — CID 134137739

IUPAC4-(naphthalen-2-yloxymethyl)-1-propyltriazole
SMILESCCCn1cc(COc2ccc3ccccc3c2)nn1
InChIInChI=1S/C16H17N3O/c1-2-9-19-11-15(17-18-19)12-20-16-8-7-13-5-3-4-6-14(13)10-16/h3-8,10-11H,2,9,12H2,1H3
InChIKeyHUIGSOUKEKJIQO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds5

About 4-(naphthalen-2-yloxymethyl)-1-propyltriazole

4-(naphthalen-2-yloxymethyl)-1-propyltriazole (PubChem CID 134137739) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(naphthalen-2-yloxymethyl)-1-propyltriazole.

Molecular Properties

Compound Name4-(naphthalen-2-yloxymethyl)-1-propyltriazole
PubChem CID134137739
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(naphthalen-2-yloxymethyl)-1-propyltriazole
SMILESCCCn1cc(COc2ccc3ccccc3c2)nn1
InChIInChI=1S/C16H17N3O/c1-2-9-19-11-15(17-18-19)12-20-16-8-7-13-5-3-4-6-14(13)10-16/h3-8,10-11H,2,9,12H2,1H3
InChIKeyHUIGSOUKEKJIQO-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-yloxymethyl)-1-propyltriazole?
The IUPAC name of 4-(naphthalen-2-yloxymethyl)-1-propyltriazole (CID 134137739) is 4-(naphthalen-2-yloxymethyl)-1-propyltriazole.
What is the SMILES notation for 4-(naphthalen-2-yloxymethyl)-1-propyltriazole?
The canonical SMILES for 4-(naphthalen-2-yloxymethyl)-1-propyltriazole is CCCn1cc(COc2ccc3ccccc3c2)nn1.
What is the InChIKey of 4-(naphthalen-2-yloxymethyl)-1-propyltriazole?
The InChIKey is HUIGSOUKEKJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-9-19-11-15(17-18-19)12-20-16-8-7-13-5-3-4-6-14(13)10-16/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 4-(naphthalen-2-yloxymethyl)-1-propyltriazole?
4-(naphthalen-2-yloxymethyl)-1-propyltriazole has a molecular weight of 267.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yloxymethyl)-1-propyltriazole is sourced from PubChem (CID 134137739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).