1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine

C10H19BrN4O — CID 106465026

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-5-12-8(6-16-7(2)3)9-10(11)13-14-15(9)4/h7-8,12H,5-6H2,1-4H3
InChIKeyIGJHXPHCWHMRIO-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.65
Rot. Bonds6

About 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine

1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 106465026) has the molecular formula C10H19BrN4O and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID106465026
Molecular FormulaC10H19BrN4O
Molecular Weight291.19 g/mol
Exact Mass290.07
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-5-12-8(6-16-7(2)3)9-10(11)13-14-15(9)4/h7-8,12H,5-6H2,1-4H3
InChIKeyIGJHXPHCWHMRIO-UHFFFAOYSA-N
XLogP1.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
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
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105183576
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-bromophenyl)sulfanyl-N-ethylethanamine
CID 106462592
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
CID 106464917
N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106462913

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine (CID 106465026) is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is IGJHXPHCWHMRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O/c1-5-12-8(6-16-7(2)3)9-10(11)13-14-15(9)4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 291.19 g/mol, XLogP of 1.65, 6 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-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 106465026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).