1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine

C8H15BrN4S — CID 106462442

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4S/c1-4-14-5-6(10-2)7-8(9)11-12-13(7)3/h6,10H,4-5H2,1-3H3
InChIKeyZFAYKHHVKSSXHM-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.59
Rot. Bonds5

About 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine

1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine (PubChem CID 106462442) has the molecular formula C8H15BrN4S and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
PubChem CID106462442
Molecular FormulaC8H15BrN4S
Molecular Weight279.21 g/mol
Exact Mass278.02
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4S/c1-4-14-5-6(10-2)7-8(9)11-12-13(7)3/h6,10H,4-5H2,1-3H3
InChIKeyZFAYKHHVKSSXHM-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
CID 106464917
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 106462563
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylsulfanylpropan-1-ol
CID 106461419
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106463119
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylbut-3-en-1-amine
CID 106462953
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 106462242
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106462995
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine (CID 106462442) is 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine is CCSCC(NC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine?
The InChIKey is ZFAYKHHVKSSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4S/c1-4-14-5-6(10-2)7-8(9)11-12-13(7)3/h6,10H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine has a molecular weight of 279.21 g/mol, XLogP of 1.59, 5 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-ethylsulfanyl-N-methylethanamine is sourced from PubChem (CID 106462442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).