3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole

C11H12BrN3O — CID 82489434

IUPAC3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
SMILESCOc1ccc(Br)cc1-c1nc(C)n(C)n1
InChIInChI=1S/C11H12BrN3O/c1-7-13-11(14-15(7)2)9-6-8(12)4-5-10(9)16-3/h4-6H,1-3H3
InChIKeyZLIKVBFQCSLBBQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.56
Rot. Bonds2

About 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole

3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole (PubChem CID 82489434) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
PubChem CID82489434
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
SMILESCOc1ccc(Br)cc1-c1nc(C)n(C)n1
InChIInChI=1S/C11H12BrN3O/c1-7-13-11(14-15(7)2)9-6-8(12)4-5-10(9)16-3/h4-6H,1-3H3
InChIKeyZLIKVBFQCSLBBQ-UHFFFAOYSA-N
XLogP2.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(1,5-dimethyl-1,2,4-triazol-3-yl)-5-methoxyaniline
CID 82472159
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 62250376
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole (CID 82489434) is 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole is COc1ccc(Br)cc1-c1nc(C)n(C)n1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole?
The InChIKey is ZLIKVBFQCSLBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7-13-11(14-15(7)2)9-6-8(12)4-5-10(9)16-3/h4-6H,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole?
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole has a molecular weight of 282.14 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 82489434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).