1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol

C6H10BrN3OS — CID 106461816

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
SMILESCSCC(O)c1c(Br)nnn1C
InChIInChI=1S/C6H10BrN3OS/c1-10-5(4(11)3-12-2)6(7)8-9-10/h4,11H,3H2,1-2H3
InChIKeyIABIYZGFKHBITJ-UHFFFAOYSA-N
MW252.14 g/mol
LogP0.97
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol

1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol (PubChem CID 106461816) has the molecular formula C6H10BrN3OS and a molecular weight of 252.14 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
PubChem CID106461816
Molecular FormulaC6H10BrN3OS
Molecular Weight252.14 g/mol
Exact Mass250.97
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
SMILESCSCC(O)c1c(Br)nnn1C
InChIInChI=1S/C6H10BrN3OS/c1-10-5(4(11)3-12-2)6(7)8-9-10/h4,11H,3H2,1-2H3
InChIKeyIABIYZGFKHBITJ-UHFFFAOYSA-N
XLogP0.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylsulfanylpropan-1-ol
CID 106461419
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
CID 106461801
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106461819
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylpentane-1,2-diol
CID 106462013
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
4-(5-bromo-3-methyltriazol-4-yl)pentan-2-one
CID 106463463
3-amino-2-(5-bromo-3-methyltriazol-4-yl)propanoic acid
CID 84803687

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol (CID 106461816) is 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol is CSCC(O)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol?
The InChIKey is IABIYZGFKHBITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3OS/c1-10-5(4(11)3-12-2)6(7)8-9-10/h4,11H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol?
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol has a molecular weight of 252.14 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol is sourced from PubChem (CID 106461816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).