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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Related Compounds

4-(benzotriazol-1-yl)-5,6-dimethylbenzene-1,2,3-triol
CID 167223019
9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole
CID 134304070
3-(benzotriazol-1-yl)-2,5-dimethylaniline
CID 175638112
1-(10-phenylanthracen-9-yl)benzotriazole
CID 87098242
5,6-bis(benzotriazol-1-yl)-2,7-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 126663710
1-[5-(chloromethyl)-2-methylphenyl]benzotriazole
CID 105405922
[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
CID 170034052
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
2-(benzotriazol-1-yl)benzene-1,3-dicarboxylic acid
CID 67391160
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
(1S)-1-[2-(benzotriazol-1-yl)phenyl]ethanamine
CID 29082017

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).