[1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine

C8H9BrN4S — CID 83664742

IUPAC[1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine
SMILESCc1c(CN)nnn1-c1ccc(Br)s1
InChIInChI=1S/C8H9BrN4S/c1-5-6(4-10)11-12-13(5)8-3-2-7(9)14-8/h2-3H,4,10H2,1H3
InChIKeyUUNGLRIGFKHJCM-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.86
Rot. Bonds2

About [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine

[1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine (PubChem CID 83664742) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine
PubChem CID83664742
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name[1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine
SMILESCc1c(CN)nnn1-c1ccc(Br)s1
InChIInChI=1S/C8H9BrN4S/c1-5-6(4-10)11-12-13(5)8-3-2-7(9)14-8/h2-3H,4,10H2,1H3
InChIKeyUUNGLRIGFKHJCM-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-Bromothiophen-2-yl)triazol-4-yl]methanamine
CID 83657515
[3-(4-Bromothiophen-2-yl)triazol-4-yl]methanamine
CID 83657516
2-[1-(4-Bromothiophen-2-yl)triazol-4-yl]ethanamine
CID 83664745
2-[3-(4-Bromothiophen-2-yl)triazol-4-yl]ethanamine
CID 83664747

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine?
The IUPAC name of [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine (CID 83664742) is [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine is Cc1c(CN)nnn1-c1ccc(Br)s1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine?
The InChIKey is UUNGLRIGFKHJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c1-5-6(4-10)11-12-13(5)8-3-2-7(9)14-8/h2-3H,4,10H2,1H3.
What are the key properties of [1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine?
[1-(5-bromothiophen-2-yl)-5-methyltriazol-4-yl]methanamine has a molecular weight of 273.16 g/mol, XLogP of 1.86, 2 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)-5-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 83664742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).