4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole

C10H9BrClN3 — CID 63389342

IUPAC4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole
SMILESCC(c1ccc(Br)cc1)n1cnnc1Cl
InChIInChI=1S/C10H9BrClN3/c1-7(15-6-13-14-10(15)12)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeySSEIGITYIMFCGL-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.30
Rot. Bonds2

About 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole

4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole (PubChem CID 63389342) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole.

Molecular Properties

Compound Name4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole
PubChem CID63389342
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole
SMILESCC(c1ccc(Br)cc1)n1cnnc1Cl
InChIInChI=1S/C10H9BrClN3/c1-7(15-6-13-14-10(15)12)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeySSEIGITYIMFCGL-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[1-(3-fluorophenyl)ethyl]-1,2,4-triazole
CID 63389337
4-butan-2-yl-3-chloro-1,2,4-triazole
CID 63384230
4-[1-(4-bromophenyl)ethyl]-3-chloro-5-propyl-1,2,4-triazole
CID 63389344
4-benzhydryl-3-chloro-1,2,4-triazole
CID 63384557
3-chloro-4-(3-methylpentan-2-yl)-1,2,4-triazole
CID 63385803
2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708183
1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
CID 171801244
2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
CID 114705010
3-bromo-4-propan-2-yl-1,2,4-triazole
CID 155819679
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014
1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566854

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole?
The IUPAC name of 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole (CID 63389342) is 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole.
What is the SMILES notation for 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole?
The canonical SMILES for 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole is CC(c1ccc(Br)cc1)n1cnnc1Cl.
What is the InChIKey of 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole?
The InChIKey is SSEIGITYIMFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-7(15-6-13-14-10(15)12)8-2-4-9(11)5-3-8/h2-7H,1H3.
What are the key properties of 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole?
4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole has a molecular weight of 286.56 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole is sourced from PubChem (CID 63389342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).