1-naphthalen-1-ylbenzotriazole

C16H11N3 — CID 13433891

IUPAC1-naphthalen-1-ylbenzotriazole
SMILESc1ccc2c(-n3nnc4ccccc43)cccc2c1
InChIInChI=1S/C16H11N3/c1-2-8-13-12(6-1)7-5-11-15(13)19-16-10-4-3-9-14(16)17-18-19/h1-11H
InChIKeyVZKLYAXYPXUICE-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.57
Rot. Bonds1

About 1-naphthalen-1-ylbenzotriazole

1-naphthalen-1-ylbenzotriazole (PubChem CID 13433891) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-naphthalen-1-ylbenzotriazole.

Molecular Properties

Compound Name1-naphthalen-1-ylbenzotriazole
PubChem CID13433891
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name1-naphthalen-1-ylbenzotriazole
SMILESc1ccc2c(-n3nnc4ccccc43)cccc2c1
InChIInChI=1S/C16H11N3/c1-2-8-13-12(6-1)7-5-11-15(13)19-16-10-4-3-9-14(16)17-18-19/h1-11H
InChIKeyVZKLYAXYPXUICE-UHFFFAOYSA-N
XLogP3.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
Mls003106484
CID 292642
1-Phenylbenzotriazole-5-carbonitrile
CID 902631
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-(Naphthalen-1-ylmethyl)-1H-1,2,3-benzotriazole
CID 775930
9-(1-Naphthyl)carbazole
CID 626218
5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2H-benzotriazole
CID 10042602
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-2H-benzotriazole
CID 10316297
4-benzo[e]benzotriazol-2-yl-N,N-dimethylaniline
CID 747904
Benzo(A)Phenazine
CID 136045
1-Tritylbenzotriazole
CID 3831542
1,3-diphenyl-1H-indazole
CID 12857750

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylbenzotriazole?
The IUPAC name of 1-naphthalen-1-ylbenzotriazole (CID 13433891) is 1-naphthalen-1-ylbenzotriazole.
What is the SMILES notation for 1-naphthalen-1-ylbenzotriazole?
The canonical SMILES for 1-naphthalen-1-ylbenzotriazole is c1ccc2c(-n3nnc4ccccc43)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylbenzotriazole?
The InChIKey is VZKLYAXYPXUICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-8-13-12(6-1)7-5-11-15(13)19-16-10-4-3-9-14(16)17-18-19/h1-11H.
What are the key properties of 1-naphthalen-1-ylbenzotriazole?
1-naphthalen-1-ylbenzotriazole has a molecular weight of 245.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylbenzotriazole is sourced from PubChem (CID 13433891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).