1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine

C8H15BrN4 — CID 106462146

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4/c1-4-6(10-5-2)7-8(9)11-12-13(7)3/h6,10H,4-5H2,1-3H3
InChIKeyLGWXZTRGSGCKAV-UHFFFAOYSA-N
MW247.14 g/mol
LogP1.64
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine (PubChem CID 106462146) has the molecular formula C8H15BrN4 and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
PubChem CID106462146
Molecular FormulaC8H15BrN4
Molecular Weight247.14 g/mol
Exact Mass246.05
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4/c1-4-6(10-5-2)7-8(9)11-12-13(7)3/h6,10H,4-5H2,1-3H3
InChIKeyLGWXZTRGSGCKAV-UHFFFAOYSA-N
XLogP1.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-bromophenyl)sulfanyl-N-ethylethanamine
CID 106462592
N-[(5-bromo-3-methyltriazol-4-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 106465384
N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106462913
N-[(5-bromo-3-methyltriazol-4-yl)-phenylmethyl]ethanamine
CID 106462129
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
CID 106464980
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine (CID 106462146) is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine is CCNC(CC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine?
The InChIKey is LGWXZTRGSGCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4/c1-4-6(10-5-2)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)-N-ethylpropan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine has a molecular weight of 247.14 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 106462146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).