[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol

C13H11N3OS — CID 174977260

IUPAC[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2n[nH]nc2-c2ccsc2)cc1
InChIInChI=1S/C13H11N3OS/c17-7-9-1-3-10(4-2-9)12-13(15-16-14-12)11-5-6-18-8-11/h1-6,8,17H,7H2,(H,14,15,16)
InChIKeyRZUMYUMSIMJIKI-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.69
Rot. Bonds3

About [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol

[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol (PubChem CID 174977260) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol
PubChem CID174977260
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2n[nH]nc2-c2ccsc2)cc1
InChIInChI=1S/C13H11N3OS/c17-7-9-1-3-10(4-2-9)12-13(15-16-14-12)11-5-6-18-8-11/h1-6,8,17H,7H2,(H,14,15,16)
InChIKeyRZUMYUMSIMJIKI-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-thiophen-3-yl-2H-triazole-4-carboxylic acid
CID 121199559
ethyl 5-(4-thiophen-3-ylphenyl)-2H-triazole-4-carboxylate
CID 169401570
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
N-[(4-thiophen-3-ylphenyl)methyl]ethanamine
CID 65100759
4-thiophen-3-ylphenol
CID 4130342
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
[4-(5-phenyl-2H-triazol-4-yl)phenyl]methanamine
CID 174848978
2-ethyl-4,5-di(thiophen-3-yl)triazole
CID 121014041
(4-methyl-3-thiophen-3-yl-1H-pyrazol-5-yl)boronic acid
CID 67464322
(3-thiophen-3-ylpyrazol-1-yl)methanol
CID 121211936
4,5-diphenyl-2H-triazole
CID 613500
1-phenyl-4-thiophen-3-ylphthalazine
CID 59868608

Frequently Asked Questions

What is the IUPAC name of [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol?
The IUPAC name of [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol (CID 174977260) is [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol?
The canonical SMILES for [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol is OCc1ccc(-c2n[nH]nc2-c2ccsc2)cc1.
What is the InChIKey of [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol?
The InChIKey is RZUMYUMSIMJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-7-9-1-3-10(4-2-9)12-13(15-16-14-12)11-5-6-18-8-11/h1-6,8,17H,7H2,(H,14,15,16).
What are the key properties of [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol?
[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol has a molecular weight of 257.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol is sourced from PubChem (CID 174977260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).