1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol

C11H15N3OS — CID 105128768

IUPAC1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol
SMILESCn1nncc1C(O)CCCc1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-10(8-12-13-14)11(15)6-2-4-9-5-3-7-16-9/h3,5,7-8,11,15H,2,4,6H2,1H3
InChIKeyGSSNVFJIJAOOND-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.93
Rot. Bonds5

About 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol

1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol (PubChem CID 105128768) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol
PubChem CID105128768
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol
SMILESCn1nncc1C(O)CCCc1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-10(8-12-13-14)11(15)6-2-4-9-5-3-7-16-9/h3,5,7-8,11,15H,2,4,6H2,1H3
InChIKeyGSSNVFJIJAOOND-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol
CID 113617471
1-(3-Ethyltriazol-4-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114213110
1-(3-Ethyltriazol-4-yl)-2-(4-fluorophenyl)sulfanylethanol
CID 114213111
2-(2-Fluorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanol
CID 114686539
2-(2-Fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol
CID 114686540
2-(3-Fluorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanol
CID 114686541
2-(3-Fluorophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanol
CID 114686542
2-(4-Fluorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanol
CID 114686543
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol (CID 105128768) is 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol is Cn1nncc1C(O)CCCc1cccs1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol?
The InChIKey is GSSNVFJIJAOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-10(8-12-13-14)11(15)6-2-4-9-5-3-7-16-9/h3,5,7-8,11,15H,2,4,6H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol?
1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 1.93, 5 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)-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 105128768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).