1-naphthalen-1-yltriazole

C12H9N3 — CID 597440

IUPAC1-naphthalen-1-yltriazole
SMILESc1ccc2c(-n3ccnn3)cccc2c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-9-8-13-14-15/h1-9H
InChIKeyWZQAAPMYCFUSOK-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About 1-naphthalen-1-yltriazole

1-naphthalen-1-yltriazole (PubChem CID 597440) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-naphthalen-1-yltriazole.

Molecular Properties

Compound Name1-naphthalen-1-yltriazole
PubChem CID597440
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name1-naphthalen-1-yltriazole
SMILESc1ccc2c(-n3ccnn3)cccc2c1
InChIInChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-9-8-13-14-15/h1-9H
InChIKeyWZQAAPMYCFUSOK-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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Related Compounds

1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
1-(3-Trifluoromethylphenyl)-1H-1,2,3-triazole
CID 13106122
1-(naphthalen-1-yl)-1H-pyrazole
CID 647305
1,4-Diphenyl-1,2,3-triazole
CID 281057
4-(1-(naphthalen-2-yl)-1H-1,2,3-triazol-5-yl)pyridine
CID 54587261
1-p-Tolyl-1H-1,2,3-triazole
CID 12278029
1-(4-isopropylphenyl)-1H-1,2,3-triazole
CID 58170200
3-(1-Phenyltriazol-4-yl)aniline
CID 86008922
1-[4-Methyl-3-(trifluoromethyl)phenyl]triazole
CID 143518882
1-(2-Methylphenyl)-4-phenyl-1H-1,2,3-triazole
CID 20977907
1-(1-Naphthalenyl)-4-phenyl-1H-1,2,3-triazole
CID 78136552
1-(3-Methylphenyl)-4-phenyl-1H-1,2,3-triazole
CID 122205254

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yltriazole?
The IUPAC name of 1-naphthalen-1-yltriazole (CID 597440) is 1-naphthalen-1-yltriazole.
What is the SMILES notation for 1-naphthalen-1-yltriazole?
The canonical SMILES for 1-naphthalen-1-yltriazole is c1ccc2c(-n3ccnn3)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yltriazole?
The InChIKey is WZQAAPMYCFUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-6-11-10(4-1)5-3-7-12(11)15-9-8-13-14-15/h1-9H.
What are the key properties of 1-naphthalen-1-yltriazole?
1-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 1-naphthalen-1-yltriazole is sourced from PubChem (CID 597440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).