1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol

C7H10N4OS — CID 114356334

IUPAC1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
SMILESCCc1nnc2sc(C(C)O)nn12
InChIInChI=1S/C7H10N4OS/c1-3-5-8-9-7-11(5)10-6(13-7)4(2)12/h4,12H,3H2,1-2H3
InChIKeyZZRALSBFPGWOOA-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.80
Rot. Bonds2

About 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol

1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol (PubChem CID 114356334) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
PubChem CID114356334
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
SMILESCCc1nnc2sc(C(C)O)nn12
InChIInChI=1S/C7H10N4OS/c1-3-5-8-9-7-11(5)10-6(13-7)4(2)12/h4,12H,3H2,1-2H3
InChIKeyZZRALSBFPGWOOA-UHFFFAOYSA-N
XLogP0.80
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
methyl 2-cyclopentyl-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352500
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
6-(1-chloroethyl)-3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356000
3-(2-methylpropyl)-6-(1-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56881068
2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991481
3-ethyl-N-(propan-2-ylideneamino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 91687144
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
CID 114354108
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine
CID 114354219
6-[(1S)-1-(3,5-dimethylphenoxy)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95558981
1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol
CID 114354185
3-ethyl-6-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373282

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol (CID 114356334) is 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol is CCc1nnc2sc(C(C)O)nn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The InChIKey is ZZRALSBFPGWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-3-5-8-9-7-11(5)10-6(13-7)4(2)12/h4,12H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol has a molecular weight of 198.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol is sourced from PubChem (CID 114356334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).