1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol

C9H10BrN3OS — CID 106461100

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
SMILESCn1nnc(Br)c1C(C)(O)c1cccs1
InChIInChI=1S/C9H10BrN3OS/c1-9(14,6-4-3-5-15-6)7-8(10)11-12-13(7)2/h3-5,14H,1-2H3
InChIKeyRAOBZBMKXXTWLH-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.89
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol

1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol (PubChem CID 106461100) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
PubChem CID106461100
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
SMILESCn1nnc(Br)c1C(C)(O)c1cccs1
InChIInChI=1S/C9H10BrN3OS/c1-9(14,6-4-3-5-15-6)7-8(10)11-12-13(7)2/h3-5,14H,1-2H3
InChIKeyRAOBZBMKXXTWLH-UHFFFAOYSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-2-yl)methanol
CID 106461122
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-thiophen-2-ylmethanol
CID 106461147
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166
(5-Bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
CID 106461173
1-Benzothiophen-3-yl-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461193
(5-Bromo-3-methyltriazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 106461195
(5-Bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(5-Bromo-3-methyltriazol-4-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106461210
1-(5-Bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 106461235
(5-Bromo-3-methyltriazol-4-yl)-(4-chlorothiophen-2-yl)methanol
CID 106461297
(5-Bromo-3-methyltriazol-4-yl)-(5-tert-butylthiophen-2-yl)methanol
CID 106461340

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol (CID 106461100) is 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol is Cn1nnc(Br)c1C(C)(O)c1cccs1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
The InChIKey is RAOBZBMKXXTWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-9(14,6-4-3-5-15-6)7-8(10)11-12-13(7)2/h3-5,14H,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol has a molecular weight of 288.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 106461100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).