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

C9H10ClN3OS — CID 81445124

IUPAC1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C9H10ClN3OS/c1-6(14)8-5-13(12-11-8)4-7-2-3-9(10)15-7/h2-3,5-6,14H,4H2,1H3
InChIKeyHIFYTPSATFPTBM-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.09
Rot. Bonds3

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

1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81445124) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID81445124
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C9H10ClN3OS/c1-6(14)8-5-13(12-11-8)4-7-2-3-9(10)15-7/h2-3,5-6,14H,4H2,1H3
InChIKeyHIFYTPSATFPTBM-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol (CID 81445124) is 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccc(Cl)s2)nn1.
What is the InChIKey of 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is HIFYTPSATFPTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-6(14)8-5-13(12-11-8)4-7-2-3-9(10)15-7/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 243.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81445124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).