1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol

C7H9N5OS — CID 130815277

IUPAC1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1Cc1cnsn1
InChIInChI=1S/C7H9N5OS/c1-5(13)7-3-8-11-12(7)4-6-2-9-14-10-6/h2-3,5,13H,4H2,1H3
InChIKeyLPJYBDPGUUBFPP-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.23
Rot. Bonds3

About 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol

1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol (PubChem CID 130815277) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol
PubChem CID130815277
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cnnn1Cc1cnsn1
InChIInChI=1S/C7H9N5OS/c1-5(13)7-3-8-11-12(7)4-6-2-9-14-10-6/h2-3,5,13H,4H2,1H3
InChIKeyLPJYBDPGUUBFPP-UHFFFAOYSA-N
XLogP0.23
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol (CID 130815277) is 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol is CC(O)c1cnnn1Cc1cnsn1.
What is the InChIKey of 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is LPJYBDPGUUBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-5(13)7-3-8-11-12(7)4-6-2-9-14-10-6/h2-3,5,13H,4H2,1H3.
What are the key properties of 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol?
1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 211.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 130815277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).