[1-(thietan-3-yl)triazol-4-yl]methanol

C6H9N3OS — CID 129452279

IUPAC[1-(thietan-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(C2CSC2)nn1
InChIInChI=1S/C6H9N3OS/c10-2-5-1-9(8-7-5)6-3-11-4-6/h1,6,10H,2-4H2
InChIKeyVYUCFSZZJTZHJM-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.06
Rot. Bonds2

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

[1-(thietan-3-yl)triazol-4-yl]methanol (PubChem CID 129452279) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is [1-(thietan-3-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(thietan-3-yl)triazol-4-yl]methanol
PubChem CID129452279
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name[1-(thietan-3-yl)triazol-4-yl]methanol
SMILESOCc1cn(C2CSC2)nn1
InChIInChI=1S/C6H9N3OS/c10-2-5-1-9(8-7-5)6-3-11-4-6/h1,6,10H,2-4H2
InChIKeyVYUCFSZZJTZHJM-UHFFFAOYSA-N
XLogP0.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.06
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-[(3S)-thiolan-3-yl]triazol-4-yl]methanol
CID 129491102
[1-(azetidin-3-yl)triazol-4-yl]methanol
CID 75485535
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
CID 165444649
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812
[1-[(3R)-1-methylsulfonylpiperidin-3-yl]triazol-4-yl]methanol
CID 129496204
(2R,3R,4S,5S)-2-[4-(hydroxymethyl)triazol-1-yl]-1,1-dioxothiane-3,4,5-triol
CID 71511994
[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methanol;dihydrochloride
CID 138008238
[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
CID 31191778
[1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]triazol-4-yl]methylurea
CID 29254255

Frequently Asked Questions

What is the IUPAC name of [1-(thietan-3-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(thietan-3-yl)triazol-4-yl]methanol (CID 129452279) is [1-(thietan-3-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(thietan-3-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(thietan-3-yl)triazol-4-yl]methanol is OCc1cn(C2CSC2)nn1.
What is the InChIKey of [1-(thietan-3-yl)triazol-4-yl]methanol?
The InChIKey is VYUCFSZZJTZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c10-2-5-1-9(8-7-5)6-3-11-4-6/h1,6,10H,2-4H2.
What are the key properties of [1-(thietan-3-yl)triazol-4-yl]methanol?
[1-(thietan-3-yl)triazol-4-yl]methanol has a molecular weight of 171.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thietan-3-yl)triazol-4-yl]methanol is sourced from PubChem (CID 129452279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).