4-naphthalen-1-yl-1,2,4-triazole

C12H9N3 — CID 45071966

IUPAC4-naphthalen-1-yl-1,2,4-triazole
SMILESc1ccc2c(-n3cnnc3)cccc2c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-8-13-14-9-15/h1-9H
InChIKeyLRWSGHQONAIHLC-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About 4-naphthalen-1-yl-1,2,4-triazole

4-naphthalen-1-yl-1,2,4-triazole (PubChem CID 45071966) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-1,2,4-triazole
PubChem CID45071966
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name4-naphthalen-1-yl-1,2,4-triazole
SMILESc1ccc2c(-n3cnnc3)cccc2c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-8-13-14-9-15/h1-9H
InChIKeyLRWSGHQONAIHLC-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1,2,4-triazole?
The IUPAC name of 4-naphthalen-1-yl-1,2,4-triazole (CID 45071966) is 4-naphthalen-1-yl-1,2,4-triazole.
What is the SMILES notation for 4-naphthalen-1-yl-1,2,4-triazole?
The canonical SMILES for 4-naphthalen-1-yl-1,2,4-triazole is c1ccc2c(-n3cnnc3)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-1,2,4-triazole?
The InChIKey is LRWSGHQONAIHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-8-13-14-9-15/h1-9H.
What are the key properties of 4-naphthalen-1-yl-1,2,4-triazole?
4-naphthalen-1-yl-1,2,4-triazole has a molecular weight of 195.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1,2,4-triazole is sourced from PubChem (CID 45071966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).