(5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol

C8H6Br3N3OS — CID 106461440

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H6Br3N3OS/c1-14-5(7(10)12-13-14)6(15)4-2-3(9)8(11)16-4/h2,6,15H,1H3
InChIKeyBFDWALHJMYVBKE-UHFFFAOYSA-N
MW431.94 g/mol
LogP3.25
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol (PubChem CID 106461440) has the molecular formula C8H6Br3N3OS and a molecular weight of 431.94 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol
PubChem CID106461440
Molecular FormulaC8H6Br3N3OS
Molecular Weight431.94 g/mol
Exact Mass428.78
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H6Br3N3OS/c1-14-5(7(10)12-13-14)6(15)4-2-3(9)8(11)16-4/h2,6,15H,1H3
InChIKeyBFDWALHJMYVBKE-UHFFFAOYSA-N
XLogP3.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102829636
(4-Bromo-5-methylthiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102829768
(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(4-Bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102830282
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)-(5-chlorothiophen-2-yl)methanol
CID 106461195
(5-Bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol (CID 106461440) is (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol is Cn1nnc(Br)c1C(O)c1cc(Br)c(Br)s1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol?
The InChIKey is BFDWALHJMYVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br3N3OS/c1-14-5(7(10)12-13-14)6(15)4-2-3(9)8(11)16-4/h2,6,15H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(4,5-dibromothiophen-2-yl)methanol has a molecular weight of 431.94 g/mol, XLogP of 3.25, 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)-(4,5-dibromothiophen-2-yl)methanol is sourced from PubChem (CID 106461440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).