[1-(1-benzothiophen-5-yl)triazol-4-yl]methanol

C11H9N3OS — CID 65475726

IUPAC[1-(1-benzothiophen-5-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C11H9N3OS/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-16-11/h1-6,15H,7H2
InChIKeyVZSXHMQDJANIHH-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.97
Rot. Bonds2

About [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol

[1-(1-benzothiophen-5-yl)triazol-4-yl]methanol (PubChem CID 65475726) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzothiophen-5-yl)triazol-4-yl]methanol
PubChem CID65475726
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name[1-(1-benzothiophen-5-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C11H9N3OS/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-16-11/h1-6,15H,7H2
InChIKeyVZSXHMQDJANIHH-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol (CID 65475726) is [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol is OCc1cn(-c2ccc3sccc3c2)nn1.
What is the InChIKey of [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol?
The InChIKey is VZSXHMQDJANIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-16-11/h1-6,15H,7H2.
What are the key properties of [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol?
[1-(1-benzothiophen-5-yl)triazol-4-yl]methanol has a molecular weight of 231.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-5-yl)triazol-4-yl]methanol is sourced from PubChem (CID 65475726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).