2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine

C8H8BrClN4S — CID 102845927

IUPAC2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-c2cc(Br)c(Cl)s2)nn1
InChIInChI=1S/C8H8BrClN4S/c9-5-3-7(15-8(5)10)6-4-14(2-1-11)13-12-6/h3-4H,1-2,11H2
InChIKeyRIXXLSWXKYQNBT-UHFFFAOYSA-N
MW307.60 g/mol
LogP2.38
Rot. Bonds3

About 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine

2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine (PubChem CID 102845927) has the molecular formula C8H8BrClN4S and a molecular weight of 307.60 g/mol. Its IUPAC name is 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine
PubChem CID102845927
Molecular FormulaC8H8BrClN4S
Molecular Weight307.60 g/mol
Exact Mass305.93
IUPAC Name2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine
SMILESNCCn1cc(-c2cc(Br)c(Cl)s2)nn1
InChIInChI=1S/C8H8BrClN4S/c9-5-3-7(15-8(5)10)6-4-14(2-1-11)13-12-6/h3-4H,1-2,11H2
InChIKeyRIXXLSWXKYQNBT-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.60
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-bromo-4-methylphenyl)triazol-1-yl]ethanamine
CID 105411955
2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine
CID 114353517
2-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 107917721
1-(2-aminoethyl)-N-(4-bromo-2,5-difluorophenyl)triazole-4-carboxamide
CID 107611622
5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine
CID 104605679
3-[4-(5-nitrothiophen-2-yl)triazol-1-yl]propan-1-amine
CID 114078076
3-[4-(3-chloro-5-fluorophenyl)triazol-1-yl]propan-1-amine
CID 114455220
[1-(2-aminoethyl)triazol-4-yl]-(4-chlorophenyl)methanone
CID 116583092
1-[1-(2-aminoethyl)triazol-4-yl]-2-(3-bromo-4-fluorophenyl)ethanone
CID 116583137
2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine
CID 114558319
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
1-(azetidin-3-yl)-4-(4,5-dibromothiophen-2-yl)triazole
CID 102845932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine (CID 102845927) is 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine is NCCn1cc(-c2cc(Br)c(Cl)s2)nn1.
What is the InChIKey of 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine?
The InChIKey is RIXXLSWXKYQNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN4S/c9-5-3-7(15-8(5)10)6-4-14(2-1-11)13-12-6/h3-4H,1-2,11H2.
What are the key properties of 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine?
2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine has a molecular weight of 307.60 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine is sourced from PubChem (CID 102845927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).