4-bromo-1-(cyclopropylmethyl)benzotriazole

C10H10BrN3 — CID 146036861

IUPAC4-bromo-1-(cyclopropylmethyl)benzotriazole
SMILESBrc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C10H10BrN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyHHIMZEFDEBTXBJ-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-1-(cyclopropylmethyl)benzotriazole

4-bromo-1-(cyclopropylmethyl)benzotriazole (PubChem CID 146036861) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 4-bromo-1-(cyclopropylmethyl)benzotriazole.

Molecular Properties

Compound Name4-bromo-1-(cyclopropylmethyl)benzotriazole
PubChem CID146036861
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name4-bromo-1-(cyclopropylmethyl)benzotriazole
SMILESBrc1cccc2c1nnn2CC1CC1
InChIInChI=1S/C10H10BrN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyHHIMZEFDEBTXBJ-UHFFFAOYSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethylbenzotriazole
CID 27939
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-(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
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-(cyclopropylmethyl)benzotriazole?
The IUPAC name of 4-bromo-1-(cyclopropylmethyl)benzotriazole (CID 146036861) is 4-bromo-1-(cyclopropylmethyl)benzotriazole.
What is the SMILES notation for 4-bromo-1-(cyclopropylmethyl)benzotriazole?
The canonical SMILES for 4-bromo-1-(cyclopropylmethyl)benzotriazole is Brc1cccc2c1nnn2CC1CC1.
What is the InChIKey of 4-bromo-1-(cyclopropylmethyl)benzotriazole?
The InChIKey is HHIMZEFDEBTXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-8-2-1-3-9-10(8)12-13-14(9)6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 4-bromo-1-(cyclopropylmethyl)benzotriazole?
4-bromo-1-(cyclopropylmethyl)benzotriazole has a molecular weight of 252.11 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclopropylmethyl)benzotriazole is sourced from PubChem (CID 146036861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).