1-(naphthalen-2-ylmethyl)triazole

C13H11N3 — CID 99621546

IUPAC1-(naphthalen-2-ylmethyl)triazole
SMILESc1ccc2cc(Cn3ccnn3)ccc2c1
InChIInChI=1S/C13H11N3/c1-2-4-13-9-11(5-6-12(13)3-1)10-16-8-7-14-15-16/h1-9H,10H2
InChIKeyQXIXEGWHVPJFFI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.48
Rot. Bonds2

About 1-(naphthalen-2-ylmethyl)triazole

1-(naphthalen-2-ylmethyl)triazole (PubChem CID 99621546) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)triazole.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)triazole
PubChem CID99621546
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(naphthalen-2-ylmethyl)triazole
SMILESc1ccc2cc(Cn3ccnn3)ccc2c1
InChIInChI=1S/C13H11N3/c1-2-4-13-9-11(5-6-12(13)3-1)10-16-8-7-14-15-16/h1-9H,10H2
InChIKeyQXIXEGWHVPJFFI-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)triazole?
The IUPAC name of 1-(naphthalen-2-ylmethyl)triazole (CID 99621546) is 1-(naphthalen-2-ylmethyl)triazole.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)triazole?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)triazole is c1ccc2cc(Cn3ccnn3)ccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)triazole?
The InChIKey is QXIXEGWHVPJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-4-13-9-11(5-6-12(13)3-1)10-16-8-7-14-15-16/h1-9H,10H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)triazole?
1-(naphthalen-2-ylmethyl)triazole has a molecular weight of 209.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)triazole is sourced from PubChem (CID 99621546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).