4-bromo-1-(cyclobutylmethyl)benzotriazole

C11H12BrN3 — CID 155536501

IUPAC4-bromo-1-(cyclobutylmethyl)benzotriazole
SMILESBrc1cccc2c1nnn2CC1CCC1
InChIInChI=1S/C11H12BrN3/c12-9-5-2-6-10-11(9)13-14-15(10)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2
InChIKeyMAPDSLWQRHTKQB-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.99
Rot. Bonds2

About 4-bromo-1-(cyclobutylmethyl)benzotriazole

4-bromo-1-(cyclobutylmethyl)benzotriazole (PubChem CID 155536501) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-bromo-1-(cyclobutylmethyl)benzotriazole.

Molecular Properties

Compound Name4-bromo-1-(cyclobutylmethyl)benzotriazole
PubChem CID155536501
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name4-bromo-1-(cyclobutylmethyl)benzotriazole
SMILESBrc1cccc2c1nnn2CC1CCC1
InChIInChI=1S/C11H12BrN3/c12-9-5-2-6-10-11(9)13-14-15(10)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2
InChIKeyMAPDSLWQRHTKQB-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethylbenzotriazole
CID 27939
4-bromo-1-(cyclopropylmethyl)-1H-1,2,3-benzotriazole
CID 146036861
4-bromo-1-methyl-1H-1,2,3-benzotriazole
CID 83821056
4-Bromo-1-(cyclohexylmethyl)-1H-benzo[d][1,2,3]triazole
CID 146036859
4-Bromo-1-isobutyl-1H-benzo[d][1,2,3]triazole
CID 146036860
4-Bromo-1-(cyclopentylmethyl)-1H-1,2,3-benzotriazole
CID 146036862
1-Benzyl-4-bromo-1H-benzo[d][1,2,3]triazole
CID 146036869
4-bromo-1-propyl-1H-1,2,3-benzotriazole
CID 155511507
4-Bromo-1-[(4-fluorophenyl)methyl]benzotriazole
CID 155534303
4-Bromo-1-[(2-fluorophenyl)methyl]benzotriazole
CID 155552204
4-Bromo-1-(cyclopropylmethyl)-6-(trifluoromethyl)benzotriazole
CID 155552571
4-bromo-1-(cyclopropylmethyl)-6-fluoro-1H-1,2,3-benzotriazole
CID 155565811

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclobutylmethyl)benzotriazole?
The IUPAC name of 4-bromo-1-(cyclobutylmethyl)benzotriazole (CID 155536501) is 4-bromo-1-(cyclobutylmethyl)benzotriazole.
What is the SMILES notation for 4-bromo-1-(cyclobutylmethyl)benzotriazole?
The canonical SMILES for 4-bromo-1-(cyclobutylmethyl)benzotriazole is Brc1cccc2c1nnn2CC1CCC1.
What is the InChIKey of 4-bromo-1-(cyclobutylmethyl)benzotriazole?
The InChIKey is MAPDSLWQRHTKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-9-5-2-6-10-11(9)13-14-15(10)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 4-bromo-1-(cyclobutylmethyl)benzotriazole?
4-bromo-1-(cyclobutylmethyl)benzotriazole has a molecular weight of 266.14 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclobutylmethyl)benzotriazole is sourced from PubChem (CID 155536501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).