[1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C15H15N3OS — CID 82203068

IUPAC[1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccccc2)c1Cc1cccs1
InChIInChI=1S/C15H15N3OS/c19-11-14-15(9-13-7-4-8-20-13)18(17-16-14)10-12-5-2-1-3-6-12/h1-8,19H,9-11H2
InChIKeyLCOWIAIIXOSIQR-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.47
Rot. Bonds5

About [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82203068) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82203068
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccccc2)c1Cc1cccs1
InChIInChI=1S/C15H15N3OS/c19-11-14-15(9-13-7-4-8-20-13)18(17-16-14)10-12-5-2-1-3-6-12/h1-8,19H,9-11H2
InChIKeyLCOWIAIIXOSIQR-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82203068) is [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is OCc1nnn(Cc2ccccc2)c1Cc1cccs1.
What is the InChIKey of [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is LCOWIAIIXOSIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-11-14-15(9-13-7-4-8-20-13)18(17-16-14)10-12-5-2-1-3-6-12/h1-8,19H,9-11H2.
What are the key properties of [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).