(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol

C8H9N3OS — CID 102831489

IUPAC(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn[nH]n1
InChIInChI=1S/C8H9N3OS/c1-5-6(2-3-13-5)8(12)7-4-9-11-10-7/h2-4,8,12H,1H3,(H,9,10,11)
InChIKeyWKTYZBNEQDFLHG-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.26
Rot. Bonds2

About (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol

(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol (PubChem CID 102831489) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
PubChem CID102831489
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn[nH]n1
InChIInChI=1S/C8H9N3OS/c1-5-6(2-3-13-5)8(12)7-4-9-11-10-7/h2-4,8,12H,1H3,(H,9,10,11)
InChIKeyWKTYZBNEQDFLHG-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745722
(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
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(4-bromothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494632
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-(1-benzothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494725
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

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol (CID 102831489) is (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol is Cc1sccc1C(O)c1cn[nH]n1.
What is the InChIKey of (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol?
The InChIKey is WKTYZBNEQDFLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-6(2-3-13-5)8(12)7-4-9-11-10-7/h2-4,8,12H,1H3,(H,9,10,11).
What are the key properties of (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol?
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol has a molecular weight of 195.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol is sourced from PubChem (CID 102831489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).