1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine

C7H13BrN4S — CID 106462299

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4S/c1-9-5(4-13-3)6-7(8)10-11-12(6)2/h5,9H,4H2,1-3H3
InChIKeyGJBFNAQEGCDBIV-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.20
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 106462299) has the molecular formula C7H13BrN4S and a molecular weight of 265.18 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
PubChem CID106462299
Molecular FormulaC7H13BrN4S
Molecular Weight265.18 g/mol
Exact Mass264.00
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1c(Br)nnn1C
InChIInChI=1S/C7H13BrN4S/c1-9-5(4-13-3)6-7(8)10-11-12(6)2/h5,9H,4H2,1-3H3
InChIKeyGJBFNAQEGCDBIV-UHFFFAOYSA-N
XLogP1.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 106462563
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
CID 106464917
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-ethylpropan-1-amine
CID 106462146
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)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106465261
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)-N-ethylbut-3-en-1-amine
CID 106462953

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine (CID 106462299) is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is GJBFNAQEGCDBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN4S/c1-9-5(4-13-3)6-7(8)10-11-12(6)2/h5,9H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 265.18 g/mol, XLogP of 1.20, 4 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)-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 106462299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).