2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol

C9H11N3OS — CID 107045858

IUPAC2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol
SMILESCn1cc(CC(O)c2cccs2)nn1
InChIInChI=1S/C9H11N3OS/c1-12-6-7(10-11-12)5-8(13)9-3-2-4-14-9/h2-4,6,8,13H,5H2,1H3
InChIKeyQIXLICAGEAPCFE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol

2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol (PubChem CID 107045858) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol
PubChem CID107045858
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol
SMILESCn1cc(CC(O)c2cccs2)nn1
InChIInChI=1S/C9H11N3OS/c1-12-6-7(10-11-12)5-8(13)9-3-2-4-14-9/h2-4,6,8,13H,5H2,1H3
InChIKeyQIXLICAGEAPCFE-UHFFFAOYSA-N
XLogP1.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol 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

4-[4-[(Z)-2-thiophen-2-ylethenyl]triazol-1-yl]butan-1-ol
CID 168295925
1-(2-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047898
1-(3-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047900
1-(4-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 113909909
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
2-[1-(Thiophen-2-ylmethyl)triazol-4-yl]ethanol
CID 62399436
2-[1-[(5-Ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62399620
(1-(thiophen-2-ylmethyl)-1H-1,2,3-triazol-4-yl)methanol
CID 62401272
[1-[(5-Ethylthiophen-2-yl)methyl]triazol-4-yl]methanol
CID 62401466
[1-(2-Thiophen-2-ylethyl)triazol-4-yl]methanol
CID 63773551
2-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 63773552

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol (CID 107045858) is 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol is Cn1cc(CC(O)c2cccs2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
The InChIKey is QIXLICAGEAPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-6-7(10-11-12)5-8(13)9-3-2-4-14-9/h2-4,6,8,13H,5H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol?
2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol has a molecular weight of 209.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 107045858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).