[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol

C12H11N3OS — CID 63737092

IUPAC[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2csc3ccccc23)nn1
InChIInChI=1S/C12H11N3OS/c16-7-10-6-15(14-13-10)5-9-8-17-12-4-2-1-3-11(9)12/h1-4,6,8,16H,5,7H2
InChIKeyBUXAUDKDWBRNDP-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.03
Rot. Bonds3

About [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol

[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol (PubChem CID 63737092) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol
PubChem CID63737092
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2csc3ccccc23)nn1
InChIInChI=1S/C12H11N3OS/c16-7-10-6-15(14-13-10)5-9-8-17-12-4-2-1-3-11(9)12/h1-4,6,8,16H,5,7H2
InChIKeyBUXAUDKDWBRNDP-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 63737966
1-(1-benzothiophen-3-ylmethyl)pyrazole-4-carboxylic acid
CID 63737907
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-hexylacetamide
CID 90666543
1-(1-benzothiophen-3-ylmethyl)pyrrole-3-carboxylic acid
CID 79103440
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
CID 56594560
[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
CID 62399428
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
CID 62402022
[1-(furan-2-ylmethyl)triazol-4-yl]methanol
CID 62401275
[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
CID 91087646
1-(1-benzothiophen-3-ylmethyl)pyrrole-2-carboxylic acid
CID 79114183

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol (CID 63737092) is [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol is OCc1cn(Cc2csc3ccccc23)nn1.
What is the InChIKey of [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol?
The InChIKey is BUXAUDKDWBRNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-7-10-6-15(14-13-10)5-9-8-17-12-4-2-1-3-11(9)12/h1-4,6,8,16H,5,7H2.
What are the key properties of [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol?
[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol has a molecular weight of 245.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 63737092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).