[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol

C7H11N3OS — CID 129491102

IUPAC[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol
SMILESOCc1cn([C@H]2CCSC2)nn1
InChIInChI=1S/C7H11N3OS/c11-4-6-3-10(9-8-6)7-1-2-12-5-7/h3,7,11H,1-2,4-5H2/t7-/m0/s1
InChIKeyGPKISNRXSHITHZ-ZETCQYMHSA-N
MW185.25 g/mol
LogP0.45
Rot. Bonds2

About [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol

[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol (PubChem CID 129491102) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol
PubChem CID129491102
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol
SMILESOCc1cn([C@H]2CCSC2)nn1
InChIInChI=1S/C7H11N3OS/c11-4-6-3-10(9-8-6)7-1-2-12-5-7/h3,7,11H,1-2,4-5H2/t7-/m0/s1
InChIKeyGPKISNRXSHITHZ-ZETCQYMHSA-N
XLogP0.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(thiolan-3-yl)triazol-4-yl]methanol
CID 121200365
[1-(thietan-3-yl)triazol-4-yl]methanol
CID 129452279
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
CID 165444649
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
[1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]triazol-4-yl]methylurea
CID 29254255
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812
[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
CID 129496204
[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
CID 31191778
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137
(2R,3R,4S,5S)-2-[4-(hydroxymethyl)triazol-1-yl]-1,1-dioxothiane-3,4,5-triol
CID 71511994
4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thian-4-yl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154891868

Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol (CID 129491102) is [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol is OCc1cn([C@H]2CCSC2)nn1.
What is the InChIKey of [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol?
The InChIKey is GPKISNRXSHITHZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N3OS/c11-4-6-3-10(9-8-6)7-1-2-12-5-7/h3,7,11H,1-2,4-5H2/t7-/m0/s1.
What are the key properties of [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol?
[1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol has a molecular weight of 185.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-thiolan-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 129491102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).