4-bromo-1-(2-methylpropyl)benzotriazole

C10H12BrN3 — CID 146036860

IUPAC4-bromo-1-(2-methylpropyl)benzotriazole
SMILESCC(C)Cn1nnc2c(Br)cccc21
InChIInChI=1S/C10H12BrN3/c1-7(2)6-14-9-5-3-4-8(11)10(9)12-13-14/h3-5,7H,6H2,1-2H3
InChIKeySNXHAPIKTGJVET-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.85
Rot. Bonds2

About 4-bromo-1-(2-methylpropyl)benzotriazole

4-bromo-1-(2-methylpropyl)benzotriazole (PubChem CID 146036860) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-bromo-1-(2-methylpropyl)benzotriazole.

Molecular Properties

Compound Name4-bromo-1-(2-methylpropyl)benzotriazole
PubChem CID146036860
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name4-bromo-1-(2-methylpropyl)benzotriazole
SMILESCC(C)Cn1nnc2c(Br)cccc21
InChIInChI=1S/C10H12BrN3/c1-7(2)6-14-9-5-3-4-8(11)10(9)12-13-14/h3-5,7H,6H2,1-2H3
InChIKeySNXHAPIKTGJVET-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylbenzotriazole
CID 25902
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-(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-(cyclobutylmethyl)-1H-1,2,3-benzotriazole
CID 155536501
4-Bromo-1-[(2-fluorophenyl)methyl]benzotriazole
CID 155552204
4-Bromo-1-(cyclopropylmethyl)-6-(trifluoromethyl)benzotriazole
CID 155552571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methylpropyl)benzotriazole?
The IUPAC name of 4-bromo-1-(2-methylpropyl)benzotriazole (CID 146036860) is 4-bromo-1-(2-methylpropyl)benzotriazole.
What is the SMILES notation for 4-bromo-1-(2-methylpropyl)benzotriazole?
The canonical SMILES for 4-bromo-1-(2-methylpropyl)benzotriazole is CC(C)Cn1nnc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-(2-methylpropyl)benzotriazole?
The InChIKey is SNXHAPIKTGJVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7(2)6-14-9-5-3-4-8(11)10(9)12-13-14/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-bromo-1-(2-methylpropyl)benzotriazole?
4-bromo-1-(2-methylpropyl)benzotriazole has a molecular weight of 254.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methylpropyl)benzotriazole is sourced from PubChem (CID 146036860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).