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

C9H11N3OS — CID 107045842

IUPAC2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol
SMILESCn1cc(CC(O)c2ccsc2)nn1
InChIInChI=1S/C9H11N3OS/c1-12-5-8(10-11-12)4-9(13)7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3
InChIKeyVTAULHKLLBOJLH-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds3

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

2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol (PubChem CID 107045842) 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-3-ylethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol
PubChem CID107045842
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol
SMILESCn1cc(CC(O)c2ccsc2)nn1
InChIInChI=1S/C9H11N3OS/c1-12-5-8(10-11-12)4-9(13)7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3
InChIKeyVTAULHKLLBOJLH-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-3-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

2-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 63773552
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanol
CID 64086709
2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 64086710
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(1,3-Dimethylpyrazol-4-yl)-thiophen-3-ylmethanol
CID 83091950
2-[(1-Tert-butyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103527355
2-[(1-Methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103699697
2-[(3-Methyltriazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103739375
3-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]propan-1-ol
CID 104093572
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol (CID 107045842) is 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol is Cn1cc(CC(O)c2ccsc2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol?
The InChIKey is VTAULHKLLBOJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-5-8(10-11-12)4-9(13)7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-thiophen-3-ylethanol?
2-(1-methyltriazol-4-yl)-1-thiophen-3-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-3-ylethanol is sourced from PubChem (CID 107045842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).