3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole

C10H9BrClN3O — CID 134497805

IUPAC3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole
SMILESCCn1nc(Br)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C10H9BrClN3O/c1-2-15-10(13-9(11)14-15)16-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3
InChIKeyQLVJXGVDHZQPMC-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.51
Rot. Bonds3

About 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole

3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole (PubChem CID 134497805) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole
PubChem CID134497805
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole
SMILESCCn1nc(Br)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C10H9BrClN3O/c1-2-15-10(13-9(11)14-15)16-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3
InChIKeyQLVJXGVDHZQPMC-UHFFFAOYSA-N
XLogP3.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
3-bromo-5-(3-chlorophenoxy)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole;8-[[5-(3-chlorophenoxy)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octane;3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 161340937
[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol
CID 58907199
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
(1R)-1-[5-[(3-chlorophenoxy)methyl]-2-ethyl-1,2,4-triazol-3-yl]ethanamine;hydrochloride
CID 154912146
(3-chlorophenyl) 5-amino-1-ethylpyrazole-3-carboxylate
CID 117215464
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
3-bromo-5-chloro-2-ethylindazole
CID 84729523
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105182888
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole?
The IUPAC name of 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole (CID 134497805) is 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole?
The canonical SMILES for 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole is CCn1nc(Br)nc1Oc1cccc(Cl)c1.
What is the InChIKey of 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole?
The InChIKey is QLVJXGVDHZQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-2-15-10(13-9(11)14-15)16-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3.
What are the key properties of 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole?
3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole has a molecular weight of 302.56 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole is sourced from PubChem (CID 134497805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).