3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole

C11H11BrClN3O — CID 115393754

IUPAC3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClN3O/c1-17-5-4-16-7-14-15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyCXWQYVPWTYGKBB-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.01
Rot. Bonds4

About 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393754) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393754
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClN3O/c1-17-5-4-16-7-14-15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyCXWQYVPWTYGKBB-UHFFFAOYSA-N
XLogP3.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
3-(4-bromo-2-chlorophenyl)-5-(bromomethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115398898
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-nitroaniline
CID 55107302
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
CID 103123713

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393754) is 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1-c1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is CXWQYVPWTYGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-17-5-4-16-7-14-15-11(16)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 316.59 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).