(5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol

C8H7Br2N3OS — CID 106465484

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1csc(Br)c1
InChIInChI=1S/C8H7Br2N3OS/c1-13-6(8(10)11-12-13)7(14)4-2-5(9)15-3-4/h2-3,7,14H,1H3
InChIKeyWEXPEXDVIYHZOI-UHFFFAOYSA-N
MW353.04 g/mol
LogP2.48
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol (PubChem CID 106465484) has the molecular formula C8H7Br2N3OS and a molecular weight of 353.04 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol
PubChem CID106465484
Molecular FormulaC8H7Br2N3OS
Molecular Weight353.04 g/mol
Exact Mass350.87
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1csc(Br)c1
InChIInChI=1S/C8H7Br2N3OS/c1-13-6(8(10)11-12-13)7(14)4-2-5(9)15-3-4/h2-3,7,14H,1H3
InChIKeyWEXPEXDVIYHZOI-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(5-Bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
CID 106461100
(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
(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)-(3-bromothiophen-2-yl)methanol
CID 106461349
(5-Bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 106461440

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol (CID 106465484) is (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol is Cn1nnc(Br)c1C(O)c1csc(Br)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol?
The InChIKey is WEXPEXDVIYHZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3OS/c1-13-6(8(10)11-12-13)7(14)4-2-5(9)15-3-4/h2-3,7,14H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol has a molecular weight of 353.04 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol is sourced from PubChem (CID 106465484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).