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

C9H11N3OS — CID 130521690

IUPAC1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESCn1ncc(C(O)Cc2ccsc2)n1
InChIInChI=1S/C9H11N3OS/c1-12-10-5-8(11-12)9(13)4-7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3
InChIKeyVAYQNKPTKBQDKU-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds3

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

1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol (PubChem CID 130521690) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol
PubChem CID130521690
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESCn1ncc(C(O)Cc2ccsc2)n1
InChIInChI=1S/C9H11N3OS/c1-12-10-5-8(11-12)9(13)4-7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3
InChIKeyVAYQNKPTKBQDKU-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

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Related Compounds

(2-Methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745722
(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
3-thiophen-3-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494843
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847
2-(5-ethylthiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494933
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol (CID 130521690) is 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol is Cn1ncc(C(O)Cc2ccsc2)n1.
What is the InChIKey of 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is VAYQNKPTKBQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-10-5-8(11-12)9(13)4-7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3.
What are the key properties of 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
1-(2-methyltriazol-4-yl)-2-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 1-(2-methyltriazol-4-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 130521690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).