1-[(E)-1-bromobut-1-enyl]benzotriazole

C10H10BrN3 — CID 26793587

IUPAC1-[(E)-1-bromobut-1-enyl]benzotriazole
SMILESCC/C=C(/Br)n1nnc2ccccc21
InChIInChI=1S/C10H10BrN3/c1-2-5-10(11)14-9-7-4-3-6-8(9)12-13-14/h3-7H,2H2,1H3/b10-5-
InChIKeyZTZDFIFJRRHCTG-YHYXMXQVSA-N
MW252.12 g/mol
LogP3.03
Rot. Bonds2

About 1-[(E)-1-bromobut-1-enyl]benzotriazole

1-[(E)-1-bromobut-1-enyl]benzotriazole (PubChem CID 26793587) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 1-[(E)-1-bromobut-1-enyl]benzotriazole.

Molecular Properties

Compound Name1-[(E)-1-bromobut-1-enyl]benzotriazole
PubChem CID26793587
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name1-[(E)-1-bromobut-1-enyl]benzotriazole
SMILESCC/C=C(/Br)n1nnc2ccccc21
InChIInChI=1S/C10H10BrN3/c1-2-5-10(11)14-9-7-4-3-6-8(9)12-13-14/h3-7H,2H2,1H3/b10-5-
InChIKeyZTZDFIFJRRHCTG-YHYXMXQVSA-N
XLogP3.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-1-ethoxyprop-1-enyl)benzotriazole
CID 3694394
(Z)-2-(benzotriazol-1-yl)oct-2-enenitrile
CID 126613436
N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
CID 6518439
lithium 1-[(Z)-1-ethoxyprop-1-enyl]benzotriazole
CID 23691160
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
CID 134987646
1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole
CID 154939480
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
N-butylbenzotriazole-1-carbothioamide
CID 26793399
1-(benzotriazol-1-yl)-N-hexadecylethanimine
CID 175138278
1-(1-phenylsulfanylprop-1-enyl)benzotriazole
CID 3839750

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-bromobut-1-enyl]benzotriazole?
The IUPAC name of 1-[(E)-1-bromobut-1-enyl]benzotriazole (CID 26793587) is 1-[(E)-1-bromobut-1-enyl]benzotriazole.
What is the SMILES notation for 1-[(E)-1-bromobut-1-enyl]benzotriazole?
The canonical SMILES for 1-[(E)-1-bromobut-1-enyl]benzotriazole is CC/C=C(/Br)n1nnc2ccccc21.
What is the InChIKey of 1-[(E)-1-bromobut-1-enyl]benzotriazole?
The InChIKey is ZTZDFIFJRRHCTG-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-2-5-10(11)14-9-7-4-3-6-8(9)12-13-14/h3-7H,2H2,1H3/b10-5-.
What are the key properties of 1-[(E)-1-bromobut-1-enyl]benzotriazole?
1-[(E)-1-bromobut-1-enyl]benzotriazole has a molecular weight of 252.12 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-bromobut-1-enyl]benzotriazole is sourced from PubChem (CID 26793587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).