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

C13H11N3OS — CID 105079990

IUPAC(2-phenyltriazol-4-yl)-thiophen-2-ylmethanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C13H11N3OS/c17-13(12-7-4-8-18-12)11-9-14-16(15-11)10-5-2-1-3-6-10/h1-9,13,17H
InChIKeyQDOAZLOMZSKVHG-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.41
Rot. Bonds3

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

(2-phenyltriazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 105079990) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-phenyltriazol-4-yl)-thiophen-2-ylmethanol
PubChem CID105079990
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name(2-phenyltriazol-4-yl)-thiophen-2-ylmethanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C13H11N3OS/c17-13(12-7-4-8-18-12)11-9-14-16(15-11)10-5-2-1-3-6-10/h1-9,13,17H
InChIKeyQDOAZLOMZSKVHG-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.41
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
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
(3-bromothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494779
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
3-thiophen-2-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494972
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372

Frequently Asked Questions

What is the IUPAC name of (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol (CID 105079990) is (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol is OC(c1cnn(-c2ccccc2)n1)c1cccs1.
What is the InChIKey of (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is QDOAZLOMZSKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13(12-7-4-8-18-12)11-9-14-16(15-11)10-5-2-1-3-6-10/h1-9,13,17H.
What are the key properties of (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol?
(2-phenyltriazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 257.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyltriazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 105079990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).