1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole

C17H15N3 — CID 118357568

IUPAC1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole
SMILESCc1cc2c(c(-n3nnc4ccccc43)c1C)C=CC2
InChIInChI=1S/C17H15N3/c1-11-10-13-6-5-7-14(13)17(12(11)2)20-16-9-4-3-8-15(16)18-19-20/h3-5,7-10H,6H2,1-2H3
InChIKeyNWUZQVAJFSTUJJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.61
Rot. Bonds1

About 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole

1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole (PubChem CID 118357568) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole
PubChem CID118357568
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole
SMILESCc1cc2c(c(-n3nnc4ccccc43)c1C)C=CC2
InChIInChI=1S/C17H15N3/c1-11-10-13-6-5-7-14(13)17(12(11)2)20-16-9-4-3-8-15(16)18-19-20/h3-5,7-10H,6H2,1-2H3
InChIKeyNWUZQVAJFSTUJJ-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole?
The IUPAC name of 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole (CID 118357568) is 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole.
What is the SMILES notation for 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole?
The canonical SMILES for 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole is Cc1cc2c(c(-n3nnc4ccccc43)c1C)C=CC2.
What is the InChIKey of 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole?
The InChIKey is NWUZQVAJFSTUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-11-10-13-6-5-7-14(13)17(12(11)2)20-16-9-4-3-8-15(16)18-19-20/h3-5,7-10H,6H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole?
1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole has a molecular weight of 261.33 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole is sourced from PubChem (CID 118357568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).