1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

C13H13BrN4S — CID 54898205

IUPAC1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2ccccn12)c1ccc(Br)s1
InChIInChI=1S/C13H13BrN4S/c1-9(10-5-6-11(14)19-10)15-8-13-17-16-12-4-2-3-7-18(12)13/h2-7,9,15H,8H2,1H3
InChIKeyZZSYYZZRMMXCRP-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 54898205) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID54898205
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2ccccn12)c1ccc(Br)s1
InChIInChI=1S/C13H13BrN4S/c1-9(10-5-6-11(14)19-10)15-8-13-17-16-12-4-2-3-7-18(12)13/h2-7,9,15H,8H2,1H3
InChIKeyZZSYYZZRMMXCRP-UHFFFAOYSA-N
XLogP3.40
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)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-bromothiophen-2-yl)methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015484
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428
4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol
CID 43504771
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
CID 115493982
1-(5-bromofuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 104652141
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43106751
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
1-benzyl-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 110954264
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 54898205) is 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is CC(NCc1nnc2ccccn12)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is ZZSYYZZRMMXCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c1-9(10-5-6-11(14)19-10)15-8-13-17-16-12-4-2-3-7-18(12)13/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 337.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 54898205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).