1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine

C8H15BrN4O — CID 106462416

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O/c1-4-14-5(2)6(10)7-8(9)11-12-13(7)3/h5-6H,4,10H2,1-3H3
InChIKeyAFOSZGCOJNDSHI-UHFFFAOYSA-N
MW263.14 g/mol
LogP1.00
Rot. Bonds4

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

1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine (PubChem CID 106462416) has the molecular formula C8H15BrN4O and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
PubChem CID106462416
Molecular FormulaC8H15BrN4O
Molecular Weight263.14 g/mol
Exact Mass262.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
SMILESCCOC(C)C(N)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4O/c1-4-14-5(2)6(10)7-8(9)11-12-13(7)3/h5-6H,4,10H2,1-3H3
InChIKeyAFOSZGCOJNDSHI-UHFFFAOYSA-N
XLogP1.00
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
CID 106465039
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
methyl 2-(5-bromo-3-methyltriazol-4-yl)butanoate
CID 106463370
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine (CID 106462416) is 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine is CCOC(C)C(N)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine?
The InChIKey is AFOSZGCOJNDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4O/c1-4-14-5(2)6(10)7-8(9)11-12-13(7)3/h5-6H,4,10H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine has a molecular weight of 263.14 g/mol, XLogP of 1.00, 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)-2-ethoxypropan-1-amine is sourced from PubChem (CID 106462416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).