1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine

C8H9BrN4S — CID 130816398

IUPAC1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESNC(Cn1cncn1)c1sccc1Br
InChIInChI=1S/C8H9BrN4S/c9-6-1-2-14-8(6)7(10)3-13-5-11-4-12-13/h1-2,4-5,7H,3,10H2
InChIKeyUBPGKHUPOJKLRD-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.80
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine

1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 130816398) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID130816398
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESNC(Cn1cncn1)c1sccc1Br
InChIInChI=1S/C8H9BrN4S/c9-6-1-2-14-8(6)7(10)3-13-5-11-4-12-13/h1-2,4-5,7H,3,10H2
InChIKeyUBPGKHUPOJKLRD-UHFFFAOYSA-N
XLogP1.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000135
N-[1-(3-bromothiophen-2-yl)ethyl]-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 60931906
1-(3-bromothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002274
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
2-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 115051728
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine (CID 130816398) is 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine is NC(Cn1cncn1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is UBPGKHUPOJKLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c9-6-1-2-14-8(6)7(10)3-13-5-11-4-12-13/h1-2,4-5,7H,3,10H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 273.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 130816398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).