(2-methyltriazol-4-yl)-thiophen-2-ylmethanol

C8H9N3OS — CID 130521676

IUPAC(2-methyltriazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1ncc(C(O)c2cccs2)n1
InChIInChI=1S/C8H9N3OS/c1-11-9-5-6(10-11)8(12)7-3-2-4-13-7/h2-5,8,12H,1H3
InChIKeyLOAARXSQGCTDCY-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.96
Rot. Bonds2

About (2-methyltriazol-4-yl)-thiophen-2-ylmethanol

(2-methyltriazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 130521676) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)-thiophen-2-ylmethanol
PubChem CID130521676
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(2-methyltriazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1ncc(C(O)c2cccs2)n1
InChIInChI=1S/C8H9N3OS/c1-11-9-5-6(10-11)8(12)7-3-2-4-13-7/h2-5,8,12H,1H3
InChIKeyLOAARXSQGCTDCY-UHFFFAOYSA-N
XLogP0.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(azidomethyl)-2H-triazol-4-yl]-thiophen-2-ylmethanol
CID 134854972
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
2-(4-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494604
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-(3-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494726
(3-bromothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494779
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847

Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (2-methyltriazol-4-yl)-thiophen-2-ylmethanol (CID 130521676) is (2-methyltriazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2-methyltriazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (2-methyltriazol-4-yl)-thiophen-2-ylmethanol is Cn1ncc(C(O)c2cccs2)n1.
What is the InChIKey of (2-methyltriazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is LOAARXSQGCTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-9-5-6(10-11)8(12)7-3-2-4-13-7/h2-5,8,12H,1H3.
What are the key properties of (2-methyltriazol-4-yl)-thiophen-2-ylmethanol?
(2-methyltriazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 195.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltriazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 130521676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).