2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol

C9H10ClN3OS — CID 62399618

IUPAC2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C9H10ClN3OS/c10-9-2-1-8(15-9)6-13-5-7(3-4-14)11-12-13/h1-2,5,14H,3-4,6H2
InChIKeyWWLRMOAYRRBTRQ-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol

2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 62399618) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID62399618
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C9H10ClN3OS/c10-9-2-1-8(15-9)6-13-5-7(3-4-14)11-12-13/h1-2,5,14H,3-4,6H2
InChIKeyWWLRMOAYRRBTRQ-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol (CID 62399618) is 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2ccc(Cl)s2)nn1.
What is the InChIKey of 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is WWLRMOAYRRBTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-9-2-1-8(15-9)6-13-5-7(3-4-14)11-12-13/h1-2,5,14H,3-4,6H2.
What are the key properties of 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 243.72 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62399618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).