2-naphthalen-1-yltriazole

C12H9N3 — CID 57075336

IUPAC2-naphthalen-1-yltriazole
SMILESc1ccc2c(-n3nccn3)cccc2c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-8-9-14-15/h1-9H
InChIKeyVSFVYRPBBWSRBE-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About 2-naphthalen-1-yltriazole

2-naphthalen-1-yltriazole (PubChem CID 57075336) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-naphthalen-1-yltriazole.

Molecular Properties

Compound Name2-naphthalen-1-yltriazole
PubChem CID57075336
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2-naphthalen-1-yltriazole
SMILESc1ccc2c(-n3nccn3)cccc2c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-8-9-14-15/h1-9H
InChIKeyVSFVYRPBBWSRBE-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 2-naphthalen-1-yltriazole?
The IUPAC name of 2-naphthalen-1-yltriazole (CID 57075336) is 2-naphthalen-1-yltriazole.
What is the SMILES notation for 2-naphthalen-1-yltriazole?
The canonical SMILES for 2-naphthalen-1-yltriazole is c1ccc2c(-n3nccn3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yltriazole?
The InChIKey is VSFVYRPBBWSRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-8-9-14-15/h1-9H.
What are the key properties of 2-naphthalen-1-yltriazole?
2-naphthalen-1-yltriazole 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 2-naphthalen-1-yltriazole is sourced from PubChem (CID 57075336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).