2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine

C8H14BrN5 — CID 127002795

IUPAC2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
SMILESCn1nnc(Br)c1C(N)CN1CCC1
InChIInChI=1S/C8H14BrN5/c1-13-7(8(9)11-12-13)6(10)5-14-3-2-4-14/h6H,2-5,10H2,1H3
InChIKeyWBZXNFDXJCCKSF-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.28
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine

2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine (PubChem CID 127002795) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
PubChem CID127002795
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
SMILESCn1nnc(Br)c1C(N)CN1CCC1
InChIInChI=1S/C8H14BrN5/c1-13-7(8(9)11-12-13)6(10)5-14-3-2-4-14/h6H,2-5,10H2,1H3
InChIKeyWBZXNFDXJCCKSF-UHFFFAOYSA-N
XLogP0.28
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065
1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106462639
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
(5-bromo-3-methyltriazol-4-yl)-(2-methylthiolan-2-yl)methanamine
CID 106465011
1-(3-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 130730117
1-(5-bromo-3-methyltriazol-4-yl)-2-(3,4-difluorophenyl)ethanamine
CID 106464668
1-(5-bromo-3-methyltriazol-4-yl)-3-(3-methylphenoxy)propan-1-amine
CID 106465361

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine (CID 127002795) is 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine is Cn1nnc(Br)c1C(N)CN1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine?
The InChIKey is WBZXNFDXJCCKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5/c1-13-7(8(9)11-12-13)6(10)5-14-3-2-4-14/h6H,2-5,10H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine?
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine has a molecular weight of 260.14 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 127002795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).