(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol

C8H8BrN3OS — CID 106461139

IUPAC(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESCn1nnc(Br)c1C(O)c1ccsc1
InChIInChI=1S/C8H8BrN3OS/c1-12-6(8(9)10-11-12)7(13)5-2-3-14-4-5/h2-4,7,13H,1H3
InChIKeyWCFQUEXDRNJWGE-UHFFFAOYSA-N
MW274.14 g/mol
LogP1.72
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol

(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol (PubChem CID 106461139) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
PubChem CID106461139
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESCn1nnc(Br)c1C(O)c1ccsc1
InChIInChI=1S/C8H8BrN3OS/c1-12-6(8(9)10-11-12)7(13)5-2-3-14-4-5/h2-4,7,13H,1H3
InChIKeyWCFQUEXDRNJWGE-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 106461391
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol
CID 106461258
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol (CID 106461139) is (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol is Cn1nnc(Br)c1C(O)c1ccsc1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
The InChIKey is WCFQUEXDRNJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-12-6(8(9)10-11-12)7(13)5-2-3-14-4-5/h2-4,7,13H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol has a molecular weight of 274.14 g/mol, XLogP of 1.72, 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)-thiophen-3-ylmethanol is sourced from PubChem (CID 106461139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).