[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine

C8H9BrN4S — CID 82488638

IUPAC[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(-c2cc(Br)cs2)nc1CN
InChIInChI=1S/C8H9BrN4S/c1-13-7(3-10)11-8(12-13)6-2-5(9)4-14-6/h2,4H,3,10H2,1H3
InChIKeyYHWOCHYBIXITOS-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.76
Rot. Bonds2

About [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine

[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82488638) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82488638
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(-c2cc(Br)cs2)nc1CN
InChIInChI=1S/C8H9BrN4S/c1-13-7(3-10)11-8(12-13)6-2-5(9)4-14-6/h2,4H,3,10H2,1H3
InChIKeyYHWOCHYBIXITOS-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
CID 84611020
2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604361
2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82490213
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82485568
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
[2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 107355567
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66294167

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine (CID 82488638) is [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine is Cn1nc(-c2cc(Br)cs2)nc1CN.
What is the InChIKey of [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is YHWOCHYBIXITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c1-13-7(3-10)11-8(12-13)6-2-5(9)4-14-6/h2,4H,3,10H2,1H3.
What are the key properties of [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 273.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82488638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).