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

C9H11N3OS — CID 105128790

IUPAC1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESCn1nncc1C(O)Cc1ccsc1
InChIInChI=1S/C9H11N3OS/c1-12-8(5-10-11-12)9(13)4-7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3
InChIKeyMEDMQLHYWTZSEO-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds3

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

1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol (PubChem CID 105128790) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol
PubChem CID105128790
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESCn1nncc1C(O)Cc1ccsc1
InChIInChI=1S/C9H11N3OS/c1-12-8(5-10-11-12)9(13)4-7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3
InChIKeyMEDMQLHYWTZSEO-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

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
1-Pyrazin-2-yl-2-thiophen-3-ylethanol
CID 62608410
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanol
CID 64086709
2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 64086710
(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
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol (CID 105128790) is 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol is Cn1nncc1C(O)Cc1ccsc1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is MEDMQLHYWTZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-8(5-10-11-12)9(13)4-7-2-3-14-6-7/h2-3,5-6,9,13H,4H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol?
1-(3-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-(3-methyltriazol-4-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105128790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).