[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol

C6H7N5OS — CID 130549819

IUPAC[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2csnn2)nn1
InChIInChI=1S/C6H7N5OS/c12-3-5-1-11(9-7-5)2-6-4-13-10-8-6/h1,4,12H,2-3H2
InChIKeyAIHFLLSIYSZVBY-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.33
Rot. Bonds3

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

[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol (PubChem CID 130549819) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol
PubChem CID130549819
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2csnn2)nn1
InChIInChI=1S/C6H7N5OS/c12-3-5-1-11(9-7-5)2-6-4-13-10-8-6/h1,4,12H,2-3H2
InChIKeyAIHFLLSIYSZVBY-UHFFFAOYSA-N
XLogP-0.33
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol (CID 130549819) is [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol is OCc1cn(Cc2csnn2)nn1.
What is the InChIKey of [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol?
The InChIKey is AIHFLLSIYSZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c12-3-5-1-11(9-7-5)2-6-4-13-10-8-6/h1,4,12H,2-3H2.
What are the key properties of [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol?
[1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol has a molecular weight of 197.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiadiazol-4-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 130549819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).